11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide

C33H23N5O3 — CID 139221124

IUPAC11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide
SMILESCc1noc(/C=C/c2ccccc2)c1NC(=O)c1c(N)nc2c3c(cc(-c4ccccc4)nc13)-c1ccccc1O2
InChIInChI=1S/C33H23N5O3/c1-19-29(26(41-38-19)17-16-20-10-4-2-5-11-20)36-32(39)28-30-27-23(18-24(35-30)21-12-6-3-7-13-21)22-14-8-9-15-25(22)40-33(27)37-31(28)34/h2-18H,1H3,(H2,34,37)(H,36,39)/b17-16+
InChIKeyHOJGQGJZEDKAGG-WUKNDPDISA-N
MW537.58 g/mol
LogP7.37
Rot. Bonds5

About 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide

11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide (PubChem CID 139221124) has the molecular formula C33H23N5O3 and a molecular weight of 537.58 g/mol. Its IUPAC name is 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide.

Molecular Properties

Compound Name11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide
PubChem CID139221124
Molecular FormulaC33H23N5O3
Molecular Weight537.58 g/mol
Exact Mass537.18
IUPAC Name11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide
SMILESCc1noc(/C=C/c2ccccc2)c1NC(=O)c1c(N)nc2c3c(cc(-c4ccccc4)nc13)-c1ccccc1O2
InChIInChI=1S/C33H23N5O3/c1-19-29(26(41-38-19)17-16-20-10-4-2-5-11-20)36-32(39)28-30-27-23(18-24(35-30)21-12-6-3-7-13-21)22-14-8-9-15-25(22)40-33(27)37-31(28)34/h2-18H,1H3,(H2,34,37)(H,36,39)/b17-16+
InChIKeyHOJGQGJZEDKAGG-WUKNDPDISA-N
XLogP7.37
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.58
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide with MolForge

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Related Compounds

11-amino-15-(2-chlorophenyl)-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide
CID 139221125
2,6-dimethyl-3-N,5-N-bis[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]-4-phenylpyridine-3,5-dicarboxamide
CID 11549225
11-(2-chlorophenyl)-5-methyl-6-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-20-oxa-2,4,6,10-tetrazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3(8),4,9(21),10,12,14,16,18-nonaen-7-one
CID 139221131
3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 11657690
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 102083078
N-[5-[(Z)-2-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
2,6-diphenyl-4-[(E)-2-phenylethenyl]pyridine
CID 164669085
3-methyl-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341
6-amino-5-chloro-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 167760124
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108653
5-amino-N-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 10824661

Frequently Asked Questions

What is the IUPAC name of 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide?
The IUPAC name of 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide (CID 139221124) is 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide.
What is the SMILES notation for 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide?
The canonical SMILES for 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide is Cc1noc(/C=C/c2ccccc2)c1NC(=O)c1c(N)nc2c3c(cc(-c4ccccc4)nc13)-c1ccccc1O2.
What is the InChIKey of 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide?
The InChIKey is HOJGQGJZEDKAGG-WUKNDPDISA-N. The full InChI is InChI=1S/C33H23N5O3/c1-19-29(26(41-38-19)17-16-20-10-4-2-5-11-20)36-32(39)28-30-27-23(18-24(35-30)21-12-6-3-7-13-21)22-14-8-9-15-25(22)40-33(27)37-31(28)34/h2-18H,1H3,(H2,34,37)(H,36,39)/b17-16+.
What are the key properties of 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide?
11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide has a molecular weight of 537.58 g/mol, XLogP of 7.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-N-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-15-phenyl-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide is sourced from PubChem (CID 139221124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).