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

C33H22ClN5O3 — CID 139221125

IUPAC11-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
SMILESCc1noc(/C=C/c2ccccc2)c1NC(=O)c1c(N)nc2c3c(cc(-c4ccccc4Cl)nc13)-c1ccccc1O2
InChIInChI=1S/C33H22ClN5O3/c1-18-29(26(42-39-18)16-15-19-9-3-2-4-10-19)37-32(40)28-30-27-22(17-24(36-30)21-12-5-7-13-23(21)34)20-11-6-8-14-25(20)41-33(27)38-31(28)35/h2-17H,1H3,(H2,35,38)(H,37,40)/b16-15+
InChIKeyOKTMDLZATVHIOY-FOCLMDBBSA-N
MW572.02 g/mol
LogP8.02
Rot. Bonds5

About 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

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 (PubChem CID 139221125) has the molecular formula C33H22ClN5O3 and a molecular weight of 572.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID139221125
Molecular FormulaC33H22ClN5O3
Molecular Weight572.02 g/mol
Exact Mass571.14
IUPAC Name11-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
SMILESCc1noc(/C=C/c2ccccc2)c1NC(=O)c1c(N)nc2c3c(cc(-c4ccccc4Cl)nc13)-c1ccccc1O2
InChIInChI=1S/C33H22ClN5O3/c1-18-29(26(42-39-18)16-15-19-9-3-2-4-10-19)37-32(40)28-30-27-22(17-24(36-30)21-12-5-7-13-23(21)34)20-11-6-8-14-25(20)41-33(27)38-31(28)35/h2-17H,1H3,(H2,35,38)(H,37,40)/b16-15+
InChIKeyOKTMDLZATVHIOY-FOCLMDBBSA-N
XLogP8.02
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.02
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 102083078
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
ethyl 3-(2,6-dichlorophenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-2-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]carbamoyl]butanoate
CID 53236050
benzyl N-[(2R,3R)-3-methyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]amino]-1-oxopentan-2-yl]carbamate
CID 24874443
5-amino-N-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 10824661
N-[5-[(Z)-2-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
3-chloro-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107047411
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 121111972

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(/C=C/c2ccccc2)c1NC(=O)c1c(N)nc2c3c(cc(-c4ccccc4Cl)nc13)-c1ccccc1O2.
What is the InChIKey of 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?
The InChIKey is OKTMDLZATVHIOY-FOCLMDBBSA-N. The full InChI is InChI=1S/C33H22ClN5O3/c1-18-29(26(42-39-18)16-15-19-9-3-2-4-10-19)37-32(40)28-30-27-22(17-24(36-30)21-12-5-7-13-23(21)34)20-11-6-8-14-25(20)41-33(27)38-31(28)35/h2-17H,1H3,(H2,35,38)(H,37,40)/b16-15+.
What are the key properties of 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?
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 has a molecular weight of 572.02 g/mol, XLogP of 8.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139221125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).