(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide

C17H16FN3O2 — CID 97465718

IUPAC(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1cccc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)n1
InChIInChI=1S/C17H16FN3O2/c1-11-5-3-8-15(19-11)20-16(22)17(2)10-14(21-23-17)12-6-4-7-13(18)9-12/h3-9H,10H2,1-2H3,(H,19,20,22)/t17-/m0/s1
InChIKeyQLJXPTGDUGCGQP-KRWDZBQOSA-N
MW313.33 g/mol
LogP3.05
Rot. Bonds3

About (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide

(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465718) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID97465718
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1cccc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)n1
InChIInChI=1S/C17H16FN3O2/c1-11-5-3-8-15(19-11)20-16(22)17(2)10-14(21-23-17)12-6-4-7-13(18)9-12/h3-9H,10H2,1-2H3,(H,19,20,22)/t17-/m0/s1
InChIKeyQLJXPTGDUGCGQP-KRWDZBQOSA-N
XLogP3.05
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465353
(5S)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465352
(5R)-3-(3-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465721
(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465709
(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 97465772
(5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465707
(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465358
[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 97465759
(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465686
(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 97465778
(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465699
3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 102551797

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide (CID 97465718) is (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide is Cc1cccc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)n1.
What is the InChIKey of (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is QLJXPTGDUGCGQP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-5-3-8-15(19-11)20-16(22)17(2)10-14(21-23-17)12-6-4-7-13(18)9-12/h3-9H,10H2,1-2H3,(H,19,20,22)/t17-/m0/s1.
What are the key properties of (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide?
(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).