3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one

C20H12N2O2 — CID 10591182

IUPAC3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one
SMILESO=C1Cc2c(c3c4ccccc4oc3c3[nH]c4ccccc4c23)N1
InChIInChI=1S/C20H12N2O2/c23-15-9-12-16-10-5-1-3-7-13(10)21-19(16)20-17(18(12)22-15)11-6-2-4-8-14(11)24-20/h1-8,21H,9H2,(H,22,23)
InChIKeyYGGINLXUTJXQHQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.72
Rot. Bonds

About 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one

3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one (PubChem CID 10591182) has the molecular formula C20H12N2O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one.

Molecular Properties

Compound Name3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one
PubChem CID10591182
Molecular FormulaC20H12N2O2
Molecular Weight312.33 g/mol
Exact Mass312.09
IUPAC Name3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one
SMILESO=C1Cc2c(c3c4ccccc4oc3c3[nH]c4ccccc4c23)N1
InChIInChI=1S/C20H12N2O2/c23-15-9-12-16-10-5-1-3-7-13(10)21-19(16)20-17(18(12)22-15)11-6-2-4-8-14(11)24-20/h1-8,21H,9H2,(H,22,23)
InChIKeyYGGINLXUTJXQHQ-UHFFFAOYSA-N
XLogP4.72
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one with MolForge

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Related Compounds

3-Oxa-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
CID 10935867
3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 2263244
3-Oxa-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-12-one
CID 12970028
4-[3-(1,3-benzoxazol-2-yl)-1H-indol-2-yl]phenol
CID 136068403
2-(furan-2-yl)-N-(4-methoxyphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 145958011
3-Oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 11012822
N-[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 1333420
17,24-Dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
CID 17983280
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide
CID 1002986
methyl 3-[N-[2-[(dimethylamino)methyl]-1,3-benzoxazol-6-yl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 145960991
2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-6-carboximidamide
CID 439110
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 16015998

Frequently Asked Questions

What is the IUPAC name of 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one?
The IUPAC name of 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one (CID 10591182) is 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one.
What is the SMILES notation for 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one?
The canonical SMILES for 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one is O=C1Cc2c(c3c4ccccc4oc3c3[nH]c4ccccc4c23)N1.
What is the InChIKey of 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one?
The InChIKey is YGGINLXUTJXQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O2/c23-15-9-12-16-10-5-1-3-7-13(10)21-19(16)20-17(18(12)22-15)11-6-2-4-8-14(11)24-20/h1-8,21H,9H2,(H,22,23).
What are the key properties of 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one?
3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one has a molecular weight of 312.33 g/mol, XLogP of 4.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-one is sourced from PubChem (CID 10591182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).