4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide

C16H19FN4O2 — CID 53146619

IUPAC4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3cc(N)on3)CC2)cc1F
InChIInChI=1S/C16H19FN4O2/c1-10-2-3-12(8-13(10)17)19-16(22)21-6-4-11(5-7-21)14-9-15(18)23-20-14/h2-3,8-9,11H,4-7,18H2,1H3,(H,19,22)
InChIKeyZTIVFRBQJKFJEG-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.12
Rot. Bonds2

About 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide

4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide (PubChem CID 53146619) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
PubChem CID53146619
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3cc(N)on3)CC2)cc1F
InChIInChI=1S/C16H19FN4O2/c1-10-2-3-12(8-13(10)17)19-16(22)21-6-4-11(5-7-21)14-9-15(18)23-20-14/h2-3,8-9,11H,4-7,18H2,1H3,(H,19,22)
InChIKeyZTIVFRBQJKFJEG-UHFFFAOYSA-N
XLogP3.12
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
CID 164536838
3-{1-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-4-piperidinyl}-N-(3-methylphenyl)propanamide
CID 24790057
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24793248
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-5-isoxazolyl)methyl]-3-piperidinecarboxamide
CID 24819349
1-(3-tert-Butyl-isoxazol-5-yl)-3-(4-trifluoromethyl-phenyl)-urea
CID 44304740
N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2738200
4-(dimethylamino)-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-3,5-difluorobenzamide
CID 2739649
3-(4-(Diisobutylamino)-3-(3-(3-(trifluoromethyl)isoxazol-5-yl)ureido)phenyl)butanoic acid
CID 90459153
US10590075, Example 20
CID 129285400
US10590075, Example 21
CID 129301747
US11370784, Example 73
CID 134418901
1-Cyano-N-(3-phenylisoxazol-5-yl)piperidine-3-carboxamide
CID 141758394

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide (CID 53146619) is 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(c3cc(N)on3)CC2)cc1F.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is ZTIVFRBQJKFJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10-2-3-12(8-13(10)17)19-16(22)21-6-4-11(5-7-21)14-9-15(18)23-20-14/h2-3,8-9,11H,4-7,18H2,1H3,(H,19,22).
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide?
4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-3-yl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53146619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).