3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H20ClN3O2 — CID 46963515

IUPAC3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN1CCCC(NC(=O)C2CC(c3ccc(Cl)cc3)=NO2)C1
InChIInChI=1S/C16H20ClN3O2/c1-20-8-2-3-13(10-20)18-16(21)15-9-14(19-22-15)11-4-6-12(17)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,21)
InChIKeyPNVVYSSGQSRTLM-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.04
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46963515) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46963515
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN1CCCC(NC(=O)C2CC(c3ccc(Cl)cc3)=NO2)C1
InChIInChI=1S/C16H20ClN3O2/c1-20-8-2-3-13(10-20)18-16(21)15-9-14(19-22-15)11-4-6-12(17)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,21)
InChIKeyPNVVYSSGQSRTLM-UHFFFAOYSA-N
XLogP2.04
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46489182
3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 14998678
(5R)-N-cyclopropyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089743
3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712265
[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7260075
(5R)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260064
[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3158123
(5S)-3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093576
3-(4-chlorophenyl)-N-[3-(ethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712158
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55671021
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158099

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46963515) is 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CN1CCCC(NC(=O)C2CC(c3ccc(Cl)cc3)=NO2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is PNVVYSSGQSRTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-20-8-2-3-13(10-20)18-16(21)15-9-14(19-22-15)11-4-6-12(17)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,21).
What are the key properties of 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46963515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).