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

C16H11ClFN3O2 — CID 17010700

IUPACN-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1F
InChIInChI=1S/C16H11ClFN3O2/c1-9-2-3-10(6-12(9)18)14-7-13(21-23-14)16(22)20-15-5-4-11(17)8-19-15/h2-8H,1H3,(H,19,20,22)
InChIKeyWBMAMOOJDKFTNA-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.09
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17010700) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17010700
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1F
InChIInChI=1S/C16H11ClFN3O2/c1-9-2-3-10(6-12(9)18)14-7-13(21-23-14)16(22)20-15-5-4-11(17)8-19-15/h2-8H,1H3,(H,19,20,22)
InChIKeyWBMAMOOJDKFTNA-UHFFFAOYSA-N
XLogP4.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyridin-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1363764
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
3-(2-chlorophenyl)-5-methyl-N-(4-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 798822
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one
CID 135471215
N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
CID 155813831
5-(4-chlorophenyl)-N-(2-chloropyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 5003875
5-(3-chlorophenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 15988901
N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 24901423
2-(4-fluorophenyl)-N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 44597113
N-(5-chloropyridin-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 700866
3-(2-chlorophenyl)-N-(5-chloropyridin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 743807

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 17010700) is N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1F.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WBMAMOOJDKFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c1-9-2-3-10(6-12(9)18)14-7-13(21-23-14)16(22)20-15-5-4-11(17)8-19-15/h2-8H,1H3,(H,19,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 331.73 g/mol, XLogP of 4.09, 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-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17010700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).