5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide

C17H20N4O3 — CID 119300715

IUPAC5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C17H20N4O3/c1-11-15(10-19-24-11)17(23)21-14-4-2-13(3-5-14)20-16(22)12-6-8-18-9-7-12/h2-5,10,12,18H,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyYKJNGKGLSSJOHB-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.17
Rot. Bonds4

About 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 119300715) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID119300715
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C17H20N4O3/c1-11-15(10-19-24-11)17(23)21-14-4-2-13(3-5-14)20-16(22)12-6-8-18-9-7-12/h2-5,10,12,18H,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyYKJNGKGLSSJOHB-UHFFFAOYSA-N
XLogP2.17
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-(pyrrolidine-2-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 119300719
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 120927144
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088
5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
N-(4-formylphenyl)piperidine-4-carboxamide
CID 130269398
N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119326813
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide (CID 119300715) is 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NC(=O)C2CCNCC2)cc1.
What is the InChIKey of 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is YKJNGKGLSSJOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-15(10-19-24-11)17(23)21-14-4-2-13(3-5-14)20-16(22)12-6-8-18-9-7-12/h2-5,10,12,18H,6-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119300715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).