2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one

C170H83N33O38S3 — CID 157160788

IUPAC2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cc(-c3nc4ccccc4c(=O)o3)[nH]n2)nc2ccccc12.O=c1oc(-c2cc(-c3nc4ccccc4c(=O)o3)on2)nc2ccccc12.O=c1oc(-c2cc(-c3nc4ccccc4c(=O)o3)sn2)nc2ccccc12.O=c1oc(-c2cnc(-c3nc4ccccc4c(=O)o3)[nH]2)nc2ccccc12.O=c1oc(-c2cnc(-c3nc4ccccc4c(=O)o3)cn2)nc2ccccc12.O=c1oc(-c2coc(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2csc(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2n[nH]c(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2nnc(-c3nc4ccccc4c(=O)o3)s2)nc2ccccc12
InChIInChI=1S/C20H10N4O4.2C19H10N4O4.2C19H9N3O5.2C19H9N3O4S.C18H9N5O4.C18H8N4O4S/c25-19-11-5-1-3-7-13(11)23-17(27-19)15-9-22-16(10-21-15)18-24-14-8-4-2-6-12(14)20(26)28-18;24-18-10-5-1-3-7-12(10)22-16(26-18)14-9-20-15(21-14)17-23-13-8-4-2-6-11(13)19(25)27-17;24-18-10-5-1-3-7-12(10)20-16(26-18)14-9-15(23-22-14)17-21-13-8-4-2-6-11(13)19(25)27-17;23-18-10-5-1-3-7-12(10)20-15(26-18)14-9-25-16(22-14)17-21-13-8-4-2-6-11(13)19(24)27-17;23-18-10-5-1-3-7-12(10)20-16(25-18)14-9-15(27-22-14)17-21-13-8-4-2-6-11(13)19(24)26-17;23-18-10-5-1-3-7-12(10)20-15(25-18)14-9-27-17(22-14)16-21-13-8-4-2-6-11(13)19(24)26-16;23-18-10-5-1-3-7-12(10)20-16(25-18)14-9-15(27-22-14)17-21-13-8-4-2-6-11(13)19(24)26-17;24-17-9-5-1-3-7-11(9)19-15(26-17)13-21-14(23-22-13)16-20-12-8-4-2-6-10(12)18(25)27-16;23-17-9-5-1-3-7-11(9)19-13(25-17)15-21-22-16(27-15)14-20-12-8-4-2-6-10(12)18(24)26-14/h1-10H;1-9H,(H,20,21);1-9H,(H,22,23);4*1-9H;1-8H,(H,21,22,23);1-8H
InChIKeyAMIRWINHIGEJBF-UHFFFAOYSA-N
MW3291.93 g/mol
LogP26.31
Rot. Bonds18

About 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one

2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one (PubChem CID 157160788) has the molecular formula C170H83N33O38S3 and a molecular weight of 3291.93 g/mol. Its IUPAC name is 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one
PubChem CID157160788
Molecular FormulaC170H83N33O38S3
Molecular Weight3291.93 g/mol
Exact Mass3289.47
IUPAC Name2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cc(-c3nc4ccccc4c(=O)o3)[nH]n2)nc2ccccc12.O=c1oc(-c2cc(-c3nc4ccccc4c(=O)o3)on2)nc2ccccc12.O=c1oc(-c2cc(-c3nc4ccccc4c(=O)o3)sn2)nc2ccccc12.O=c1oc(-c2cnc(-c3nc4ccccc4c(=O)o3)[nH]2)nc2ccccc12.O=c1oc(-c2cnc(-c3nc4ccccc4c(=O)o3)cn2)nc2ccccc12.O=c1oc(-c2coc(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2csc(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2n[nH]c(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2nnc(-c3nc4ccccc4c(=O)o3)s2)nc2ccccc12
InChIInChI=1S/C20H10N4O4.2C19H10N4O4.2C19H9N3O5.2C19H9N3O4S.C18H9N5O4.C18H8N4O4S/c25-19-11-5-1-3-7-13(11)23-17(27-19)15-9-22-16(10-21-15)18-24-14-8-4-2-6-12(14)20(26)28-18;24-18-10-5-1-3-7-12(10)22-16(26-18)14-9-20-15(21-14)17-23-13-8-4-2-6-11(13)19(25)27-17;24-18-10-5-1-3-7-12(10)20-16(26-18)14-9-15(23-22-14)17-21-13-8-4-2-6-11(13)19(25)27-17;23-18-10-5-1-3-7-12(10)20-15(26-18)14-9-25-16(22-14)17-21-13-8-4-2-6-11(13)19(24)27-17;23-18-10-5-1-3-7-12(10)20-16(25-18)14-9-15(27-22-14)17-21-13-8-4-2-6-11(13)19(24)26-17;23-18-10-5-1-3-7-12(10)20-15(25-18)14-9-27-17(22-14)16-21-13-8-4-2-6-11(13)19(24)26-16;23-18-10-5-1-3-7-12(10)20-16(25-18)14-9-15(27-22-14)17-21-13-8-4-2-6-11(13)19(24)26-17;24-17-9-5-1-3-7-11(9)19-15(26-17)13-21-14(23-22-13)16-20-12-8-4-2-6-10(12)18(25)27-16;23-17-9-5-1-3-7-11(9)19-13(25-17)15-21-22-16(27-15)14-20-12-8-4-2-6-10(12)18(24)26-14/h1-10H;1-9H,(H,20,21);1-9H,(H,22,23);4*1-9H;1-8H,(H,21,22,23);1-8H
InChIKeyAMIRWINHIGEJBF-UHFFFAOYSA-N
XLogP26.31
TPSA1004.13 Ų
H-Bond Donors3
H-Bond Acceptors71
Rotatable Bonds18
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003291.93
LogP ≤ 526.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1071

Analyze 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one (CID 157160788) is 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one is O=c1oc(-c2cc(-c3nc4ccccc4c(=O)o3)[nH]n2)nc2ccccc12.O=c1oc(-c2cc(-c3nc4ccccc4c(=O)o3)on2)nc2ccccc12.O=c1oc(-c2cc(-c3nc4ccccc4c(=O)o3)sn2)nc2ccccc12.O=c1oc(-c2cnc(-c3nc4ccccc4c(=O)o3)[nH]2)nc2ccccc12.O=c1oc(-c2cnc(-c3nc4ccccc4c(=O)o3)cn2)nc2ccccc12.O=c1oc(-c2coc(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2csc(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2n[nH]c(-c3nc4ccccc4c(=O)o3)n2)nc2ccccc12.O=c1oc(-c2nnc(-c3nc4ccccc4c(=O)o3)s2)nc2ccccc12.
What is the InChIKey of 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one?
The InChIKey is AMIRWINHIGEJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N4O4.2C19H10N4O4.2C19H9N3O5.2C19H9N3O4S.C18H9N5O4.C18H8N4O4S/c25-19-11-5-1-3-7-13(11)23-17(27-19)15-9-22-16(10-21-15)18-24-14-8-4-2-6-12(14)20(26)28-18;24-18-10-5-1-3-7-12(10)22-16(26-18)14-9-20-15(21-14)17-23-13-8-4-2-6-11(13)19(25)27-17;24-18-10-5-1-3-7-12(10)20-16(26-18)14-9-15(23-22-14)17-21-13-8-4-2-6-11(13)19(25)27-17;23-18-10-5-1-3-7-12(10)20-15(26-18)14-9-25-16(22-14)17-21-13-8-4-2-6-11(13)19(24)27-17;23-18-10-5-1-3-7-12(10)20-16(25-18)14-9-15(27-22-14)17-21-13-8-4-2-6-11(13)19(24)26-17;23-18-10-5-1-3-7-12(10)20-15(25-18)14-9-27-17(22-14)16-21-13-8-4-2-6-11(13)19(24)26-16;23-18-10-5-1-3-7-12(10)20-16(25-18)14-9-15(27-22-14)17-21-13-8-4-2-6-11(13)19(24)26-17;24-17-9-5-1-3-7-11(9)19-15(26-17)13-21-14(23-22-13)16-20-12-8-4-2-6-10(12)18(25)27-16;23-17-9-5-1-3-7-11(9)19-13(25-17)15-21-22-16(27-15)14-20-12-8-4-2-6-10(12)18(24)26-14/h1-10H;1-9H,(H,20,21);1-9H,(H,22,23);4*1-9H;1-8H,(H,21,22,23);1-8H.
What are the key properties of 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one?
2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one has a molecular weight of 3291.93 g/mol, XLogP of 26.31, 18 rotatable bonds, 3 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-imidazol-5-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-oxazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-oxazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)pyrazin-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrazol-5-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1,3,4-thiadiazol-2-yl]-3,1-benzoxazin-4-one;2-[2-(4-oxo-3,1-benzoxazin-2-yl)-1,3-thiazol-4-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1,2-thiazol-5-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-1H-1,2,4-triazol-5-yl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 157160788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).