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

C16H20N4O2 — CID 53146611

IUPAC4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(c3cc(N)on3)CC2)c1
InChIInChI=1S/C16H20N4O2/c1-11-3-2-4-13(9-11)18-16(21)20-7-5-12(6-8-20)14-10-15(17)22-19-14/h2-4,9-10,12H,5-8,17H2,1H3,(H,18,21)
InChIKeyVMWOSZOHRJAUNV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.98
Rot. Bonds2

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

4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 53146611) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID53146611
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(c3cc(N)on3)CC2)c1
InChIInChI=1S/C16H20N4O2/c1-11-3-2-4-13(9-11)18-16(21)20-7-5-12(6-8-20)14-10-15(17)22-19-14/h2-4,9-10,12H,5-8,17H2,1H3,(H,18,21)
InChIKeyVMWOSZOHRJAUNV-UHFFFAOYSA-N
XLogP2.98
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
CID 2738199
N-[2,6-bis(1-methylethyl)phenyl]-N'-(3-dodecyl-5-isoxazolyl)urea
CID 10004175
1-(2,6-Diisopropyl-phenyl)-3-(3-tetradecyl-isoxazol-5-yl)-urea
CID 10624692
1-(2,6-Diisopropyl-phenyl)-3-(3-tridecyl-isoxazol-5-yl)-urea
CID 10838072
1-(3-Decyl-isoxazol-5-yl)-3-(2,6-diisopropyl-phenyl)-urea
CID 11796760
(5R)-N-(3-cyanophenyl)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3235291
3-{1-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-4-piperidinyl}-N-(3-methylphenyl)propanamide
CID 24790057
1-(3-tert-Butyl-isoxazol-5-yl)-3-(4-trifluoromethyl-phenyl)-urea
CID 44304740
N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]-N'-phenylurea
CID 2738194
Benzyl-(3-phenyl-isoxazol-5-yl)-(3-piperidin-1-yl-propyl)-amine
CID 128205
N-(3,4-dimethylisoxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 46187694
US11370784, Example 73
CID 134418901

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (CID 53146611) is 4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(c3cc(N)on3)CC2)c1.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is VMWOSZOHRJAUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-3-2-4-13(9-11)18-16(21)20-7-5-12(6-8-20)14-10-15(17)22-19-14/h2-4,9-10,12H,5-8,17H2,1H3,(H,18,21).
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
4-(5-amino-1,2-oxazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.98, 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-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53146611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).