5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide

C21H24FN3O3 — CID 23852983

IUPAC5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(CN(C(=O)c2ccc(F)cc2)C2CCCC2)on1
InChIInChI=1S/C21H24FN3O3/c22-16-9-7-15(8-10-16)21(27)25(17-3-1-2-4-17)13-18-11-19(24-28-18)20(26)23-12-14-5-6-14/h7-11,14,17H,1-6,12-13H2,(H,23,26)
InChIKeyTWJCGUGYPYMMAL-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.54
Rot. Bonds7

About 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide

5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 23852983) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID23852983
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(CN(C(=O)c2ccc(F)cc2)C2CCCC2)on1
InChIInChI=1S/C21H24FN3O3/c22-16-9-7-15(8-10-16)21(27)25(17-3-1-2-4-17)13-18-11-19(24-28-18)20(26)23-12-14-5-6-14/h7-11,14,17H,1-6,12-13H2,(H,23,26)
InChIKeyTWJCGUGYPYMMAL-UHFFFAOYSA-N
XLogP3.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23768938
5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23960033
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
5-[[benzoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23820023
5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23907301
5-[[cyclohexanecarbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23792491
5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23933174
5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23768647
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23767437
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 25490193
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide
CID 42815503

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide (CID 23852983) is 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CC1)c1cc(CN(C(=O)c2ccc(F)cc2)C2CCCC2)on1.
What is the InChIKey of 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is TWJCGUGYPYMMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-16-9-7-15(8-10-16)21(27)25(17-3-1-2-4-17)13-18-11-19(24-28-18)20(26)23-12-14-5-6-14/h7-11,14,17H,1-6,12-13H2,(H,23,26).
What are the key properties of 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide?
5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23852983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).