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

C24H27N3O2 — CID 42834478

IUPACN-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CN(Cc2nc(C(=O)N(C)Cc3ccccc3)co2)C2CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-18-8-10-20(11-9-18)15-27(21-12-13-21)16-23-25-22(17-29-23)24(28)26(2)14-19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3
InChIKeyLOPWJNJZFBHNES-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.42
Rot. Bonds8

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

N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 42834478) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID42834478
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CN(Cc2nc(C(=O)N(C)Cc3ccccc3)co2)C2CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-18-8-10-20(11-9-18)15-27(21-12-13-21)16-23-25-22(17-29-23)24(28)26(2)14-19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3
InChIKeyLOPWJNJZFBHNES-UHFFFAOYSA-N
XLogP4.42
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834503
2-[[(4-chlorophenyl)methyl-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42798819
2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712388
2-[[cyclopropyl-[(4-ethoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712750
2-[[cyclopropyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712390
2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 42834643
N-benzyl-2-[[(3,4-dichlorophenyl)methyl-propan-2-ylamino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42829373
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156748
2-[[(4-tert-butylphenyl)methyl-cyclopropylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42834555
[2-[[(4-tert-butylphenyl)methyl-cyclopropylamino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 42834561
N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856415
2-[[cyclopropyl-[(4-ethoxyphenyl)methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834535

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 42834478) is N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide is Cc1ccc(CN(Cc2nc(C(=O)N(C)Cc3ccccc3)co2)C2CC2)cc1.
What is the InChIKey of N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is LOPWJNJZFBHNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-8-10-20(11-9-18)15-27(21-12-13-21)16-23-25-22(17-29-23)24(28)26(2)14-19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3.
What are the key properties of N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).