5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide

C16H19N3O2 — CID 2814234

IUPAC5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCCCC2)no1
InChIInChI=1S/C16H19N3O2/c1-12-11-14(18-21-12)16(20)17-13-7-3-4-8-15(13)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,20)
InChIKeyHRZABGYWLJNBTP-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.23
Rot. Bonds3

About 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 2814234) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID2814234
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCCCC2)no1
InChIInChI=1S/C16H19N3O2/c1-12-11-14(18-21-12)16(20)17-13-7-3-4-8-15(13)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,20)
InChIKeyHRZABGYWLJNBTP-UHFFFAOYSA-N
XLogP3.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
4-(4-Methoxyphenyl)piperazinyl 5-methylisoxazol-3-yl ketone
CID 842091
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209090
5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 2814205
5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4786601
1-(5-Methyl-4-nitro-1,2-oxazole-3-carbonyl)-4-phenylpiperazine
CID 20864742
5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 8880740
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide
CID 5308779
N-(2-(piperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 11277266

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide (CID 2814234) is 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)no1.
What is the InChIKey of 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HRZABGYWLJNBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-11-14(18-21-12)16(20)17-13-7-3-4-8-15(13)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,20).
What are the key properties of 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2814234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).