2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide

C29H28N2O4 — CID 159322008

IUPAC2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCCCCC(=O)C(c1ccccc1)c1ccccc1)c1coc(-c2ccccc2O)n1
InChIInChI=1S/C29H28N2O4/c32-25-17-10-9-16-23(25)29-31-24(20-35-29)28(34)30-19-11-3-8-18-26(33)27(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-2,4-7,9-10,12-17,20,27,32H,3,8,11,18-19H2,(H,30,34)
InChIKeyLDWQOQZPMGOTHH-UHFFFAOYSA-N
MW468.55 g/mol
LogP5.74
Rot. Bonds11

About 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide

2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide (PubChem CID 159322008) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide
PubChem CID159322008
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC Name2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCCCCC(=O)C(c1ccccc1)c1ccccc1)c1coc(-c2ccccc2O)n1
InChIInChI=1S/C29H28N2O4/c32-25-17-10-9-16-23(25)29-31-24(20-35-29)28(34)30-19-11-3-8-18-26(33)27(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-2,4-7,9-10,12-17,20,27,32H,3,8,11,18-19H2,(H,30,34)
InChIKeyLDWQOQZPMGOTHH-UHFFFAOYSA-N
XLogP5.74
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3721367
2-(2-aminophenyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3295381
N-[6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 90965796
2-(5-amino-1-phenylpyrazol-4-yl)-N-hexyl-1,3-oxazole-4-carboxamide
CID 3286604
8-oxo-9,9-diphenylnonanoic acid
CID 58248727
(2S)-6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid
CID 136811989
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3468332
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3871049
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 5165501

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide (CID 159322008) is 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide is O=C(NCCCCCC(=O)C(c1ccccc1)c1ccccc1)c1coc(-c2ccccc2O)n1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LDWQOQZPMGOTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4/c32-25-17-10-9-16-23(25)29-31-24(20-35-29)28(34)30-19-11-3-8-18-26(33)27(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-2,4-7,9-10,12-17,20,27,32H,3,8,11,18-19H2,(H,30,34).
What are the key properties of 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide?
2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 5.74, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-(6-oxo-7,7-diphenylheptyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 159322008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).