N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

C16H12ClN3O2 — CID 53001781

IUPACN-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccnc2)c1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2/c1-10-14(15(20-22-10)11-5-4-8-18-9-11)16(21)19-13-7-3-2-6-12(13)17/h2-9H,1H3,(H,19,21)
InChIKeySHUONDXXQNNYHE-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.95
Rot. Bonds3

About N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 53001781) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID53001781
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccnc2)c1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2/c1-10-14(15(20-22-10)11-5-4-8-18-9-11)16(21)19-13-7-3-2-6-12(13)17/h2-9H,1H3,(H,19,21)
InChIKeySHUONDXXQNNYHE-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-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
N-(3-chloro-2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26897303
N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
N-[(2-chloro-1,3-oxazol-4-yl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166371286
N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805843
3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805541
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
3-(2-chlorophenyl)-N-[4-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylphenyl]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4521302
3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 1070191

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 53001781) is N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccnc2)c1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is SHUONDXXQNNYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-10-14(15(20-22-10)11-5-4-8-18-9-11)16(21)19-13-7-3-2-6-12(13)17/h2-9H,1H3,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-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-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53001781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).