N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C16H12ClN3O2 — CID 17022037

IUPACN-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1
InChIInChI=1S/C16H12ClN3O2/c1-10-2-4-11(5-3-10)14-8-13(20-22-14)16(21)19-15-7-6-12(17)9-18-15/h2-9H,1H3,(H,18,19,21)
InChIKeyVEJQIDWAOJEANC-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.95
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17022037) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17022037
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1
InChIInChI=1S/C16H12ClN3O2/c1-10-2-4-11(5-3-10)14-8-13(20-22-14)16(21)19-15-7-6-12(17)9-18-15/h2-9H,1H3,(H,18,19,21)
InChIKeyVEJQIDWAOJEANC-UHFFFAOYSA-N
XLogP3.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 3236497
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
N-(4-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 19581183
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
2-chloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
CID 20546757
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 17022037) is N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VEJQIDWAOJEANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-10-2-4-11(5-3-10)14-8-13(20-22-14)16(21)19-15-7-6-12(17)9-18-15/h2-9H,1H3,(H,18,19,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17022037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).