5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide

C19H20ClN3O3 — CID 91953663

IUPAC5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C19H20ClN3O3/c20-14-5-3-12(4-6-14)17-10-16(22-26-17)19(25)23(15-7-8-15)18(24)13-2-1-9-21-11-13/h3-6,10,13,15,21H,1-2,7-9,11H2
InChIKeyNPKUAYYDJJNORS-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.13
Rot. Bonds4

About 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide (PubChem CID 91953663) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
PubChem CID91953663
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C19H20ClN3O3/c20-14-5-3-12(4-6-14)17-10-16(22-26-17)19(25)23(15-7-8-15)18(24)13-2-1-9-21-11-13/h3-6,10,13,15,21H,1-2,7-9,11H2
InChIKeyNPKUAYYDJJNORS-UHFFFAOYSA-N
XLogP3.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
CID 91949812
N-cyclopropyl-N-(piperidine-3-carbonyl)pyrazine-2-carboxamide
CID 91953778
5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119513121
N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948919
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide
CID 119297631
5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 99842444
N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide
CID 91950476
N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 91953678
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide (CID 91953663) is 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2ccc(Cl)cc2)on1)N(C(=O)C1CCCNC1)C1CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NPKUAYYDJJNORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-14-5-3-12(4-6-14)17-10-16(22-26-17)19(25)23(15-7-8-15)18(24)13-2-1-9-21-11-13/h3-6,10,13,15,21H,1-2,7-9,11H2.
What are the key properties of 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91953663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).