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

C20H24N4O3 — CID 7415529

IUPACN-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)N(Cc2nc(C(=O)NC3CC3)co2)C2CC2)c1C
InChIInChI=1S/C20H24N4O3/c1-12-4-3-5-16(13(12)2)23-20(26)24(15-8-9-15)10-18-22-17(11-27-18)19(25)21-14-6-7-14/h3-5,11,14-15H,6-10H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyKLWRBLLKACWQKV-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.38
Rot. Bonds6

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

N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 7415529) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID7415529
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)N(Cc2nc(C(=O)NC3CC3)co2)C2CC2)c1C
InChIInChI=1S/C20H24N4O3/c1-12-4-3-5-16(13(12)2)23-20(26)24(15-8-9-15)10-18-22-17(11-27-18)19(25)21-14-6-7-14/h3-5,11,14-15H,6-10H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyKLWRBLLKACWQKV-UHFFFAOYSA-N
XLogP3.38
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 1195797
2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 7225997
methyl 2-[[cyclopropyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1196367
methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
CID 810996
methyl 2-[[tert-butyl-[(2-methylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 811004
methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197711
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286
2-[[benzyl-[(3-phenoxyphenyl)methyl]amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 42833545
1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea
CID 111754137
N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766369
methyl 2-[[cyclohexyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 5039484
N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834688

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 7415529) is N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide is Cc1cccc(NC(=O)N(Cc2nc(C(=O)NC3CC3)co2)C2CC2)c1C.
What is the InChIKey of N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KLWRBLLKACWQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-4-3-5-16(13(12)2)23-20(26)24(15-8-9-15)10-18-22-17(11-27-18)19(25)21-14-6-7-14/h3-5,11,14-15H,6-10H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 7415529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).