N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide

C16H12ClFN4O2 — CID 25155703

IUPACN-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2cc(F)ccc2Cl)c(N)n1
InChIInChI=1S/C16H12ClFN4O2/c1-8-12(7-24-22-8)16(23)21-14-5-3-10(15(19)20-14)11-6-9(18)2-4-13(11)17/h2-7H,1H3,(H3,19,20,21,23)
InChIKeyJPZSRZGCVUCWJT-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.67
Rot. Bonds3

About N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 25155703) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID25155703
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC NameN-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(-c2cc(F)ccc2Cl)c(N)n1
InChIInChI=1S/C16H12ClFN4O2/c1-8-12(7-24-22-8)16(23)21-14-5-3-10(15(19)20-14)11-6-9(18)2-4-13(11)17/h2-7H,1H3,(H3,19,20,21,23)
InChIKeyJPZSRZGCVUCWJT-UHFFFAOYSA-N
XLogP3.67
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71111296
N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71111478
N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155167
N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
CID 25156248
N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71111304
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 67400764
N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide
CID 123596980
N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
CID 58997299
N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide
CID 122181200
N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide
CID 71111427
N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857256

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 25155703) is N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1ccc(-c2cc(F)ccc2Cl)c(N)n1.
What is the InChIKey of N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JPZSRZGCVUCWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c1-8-12(7-24-22-8)16(23)21-14-5-3-10(15(19)20-14)11-6-9(18)2-4-13(11)17/h2-7H,1H3,(H3,19,20,21,23).
What are the key properties of N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 346.75 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25155703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).