3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide

C19H16ClN3O2 — CID 167947927

IUPAC3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1Cl)c1cc(C2CNC2)no1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-13(12-4-2-1-3-5-12)6-7-16(15)22-19(24)18-9-17(23-25-18)14-10-21-11-14/h1-9,14,21H,10-11H2,(H,22,24)
InChIKeyJREXVLPQMUZDAF-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.93
Rot. Bonds4

About 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide

3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 167947927) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID167947927
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1Cl)c1cc(C2CNC2)no1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-13(12-4-2-1-3-5-12)6-7-16(15)22-19(24)18-9-17(23-25-18)14-10-21-11-14/h1-9,14,21H,10-11H2,(H,22,24)
InChIKeyJREXVLPQMUZDAF-UHFFFAOYSA-N
XLogP3.93
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-phenylphenyl)prop-2-enamide
CID 166408251
N-(4-methylphenyl)-3-piperidin-4-yl-1,2-oxazole-5-carboxamide
CID 155952487
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 99577393
N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962282
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840936
N-(2,4-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200683
N-(4-carbamoyl-2-propan-2-yloxyphenyl)-3-piperidin-4-yl-1,2-oxazole-5-carboxamide
CID 167828673
N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55668381
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666411
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide (CID 167947927) is 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1Cl)c1cc(C2CNC2)no1.
What is the InChIKey of 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is JREXVLPQMUZDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-8-13(12-4-2-1-3-5-12)6-7-16(15)22-19(24)18-9-17(23-25-18)14-10-21-11-14/h1-9,14,21H,10-11H2,(H,22,24).
What are the key properties of 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide?
3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-N-(2-chloro-4-phenylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167947927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).