4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide

C28H26N2O3 — CID 39951889

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NC[C@@H]1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C28H26N2O3/c31-26(14-7-15-30-24-12-5-6-13-25(24)33-28(30)32)29-17-18-16-23-19-8-1-3-10-21(19)27(18)22-11-4-2-9-20(22)23/h1-6,8-13,18,23,27H,7,14-17H2,(H,29,31)/t18-,23?,27?/m0/s1
InChIKeyRRLWZUZWSQRLNI-QYVVGCJJSA-N
MW438.53 g/mol
LogP4.79
Rot. Bonds6

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide (PubChem CID 39951889) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide
PubChem CID39951889
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NC[C@@H]1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C28H26N2O3/c31-26(14-7-15-30-24-12-5-6-13-25(24)33-28(30)32)29-17-18-16-23-19-8-1-3-10-21(19)27(18)22-11-4-2-9-20(22)23/h1-6,8-13,18,23,27H,7,14-17H2,(H,29,31)/t18-,23?,27?/m0/s1
InChIKeyRRLWZUZWSQRLNI-QYVVGCJJSA-N
XLogP4.79
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide with MolForge

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Related Compounds

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4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
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propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide (CID 39951889) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide is O=C(CCCn1c(=O)oc2ccccc21)NC[C@@H]1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide?
The InChIKey is RRLWZUZWSQRLNI-QYVVGCJJSA-N. The full InChI is InChI=1S/C28H26N2O3/c31-26(14-7-15-30-24-12-5-6-13-25(24)33-28(30)32)29-17-18-16-23-19-8-1-3-10-21(19)27(18)22-11-4-2-9-20(22)23/h1-6,8-13,18,23,27H,7,14-17H2,(H,29,31)/t18-,23?,27?/m0/s1.
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide has a molecular weight of 438.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide is sourced from PubChem (CID 39951889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).