2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

C24H27N3O2 — CID 42834643

IUPAC2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(CN(Cc2nc(C(=O)NC(C)c3ccccc3)co2)C2CC2)c1
InChIInChI=1S/C24H27N3O2/c1-17-7-6-8-19(13-17)14-27(21-11-12-21)15-23-26-22(16-29-23)24(28)25-18(2)20-9-4-3-5-10-20/h3-10,13,16,18,21H,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyAZXNLFXGBBCMJU-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.64
Rot. Bonds8

About 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42834643) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID42834643
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(CN(Cc2nc(C(=O)NC(C)c3ccccc3)co2)C2CC2)c1
InChIInChI=1S/C24H27N3O2/c1-17-7-6-8-19(13-17)14-27(21-11-12-21)15-23-26-22(16-29-23)24(28)25-18(2)20-9-4-3-5-10-20/h3-10,13,16,18,21H,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyAZXNLFXGBBCMJU-UHFFFAOYSA-N
XLogP4.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1,3-benzodioxol-5-ylmethyl-[(3-methylphenyl)methyl]amino]methyl]-N-[(1R)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93156241
2-[[benzyl-[(3-chlorophenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 46000191
2-[[(2-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 46147461
2-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93155582
2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 98401339
2-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93158022
2-[[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93155586
N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42834478
2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712388
2-[[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 46000284
N-benzyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834503
N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93158009

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide (CID 42834643) is 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide is Cc1cccc(CN(Cc2nc(C(=O)NC(C)c3ccccc3)co2)C2CC2)c1.
What is the InChIKey of 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AZXNLFXGBBCMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-7-6-8-19(13-17)14-27(21-11-12-21)15-23-26-22(16-29-23)24(28)25-18(2)20-9-4-3-5-10-20/h3-10,13,16,18,21H,11-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).