(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide

C15H14FN3O2S — CID 97465304

IUPAC(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1cnc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)s1
InChIInChI=1S/C15H14FN3O2S/c1-9-8-17-14(22-9)18-13(20)15(2)7-12(19-21-15)10-5-3-4-6-11(10)16/h3-6,8H,7H2,1-2H3,(H,17,18,20)/t15-/m1/s1
InChIKeyMLYFASXVLRUBKF-OAHLLOKOSA-N
MW319.36 g/mol
LogP3.11
Rot. Bonds3

About (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide

(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465304) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
PubChem CID97465304
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1cnc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)s1
InChIInChI=1S/C15H14FN3O2S/c1-9-8-17-14(22-9)18-13(20)15(2)7-12(19-21-15)10-5-3-4-6-11(10)16/h3-6,8H,7H2,1-2H3,(H,17,18,20)/t15-/m1/s1
InChIKeyMLYFASXVLRUBKF-OAHLLOKOSA-N
XLogP3.11
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946169
(5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465557
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465267
(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465587
(5S)-3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 92613682
3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 46977659
(5R)-3-(2-fluorophenyl)-5-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4H-1,2-oxazole-5-carboxamide
CID 92613681
3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide
CID 46979789
(5S)-3-(2-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51497722
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
3-(2-fluorophenyl)-5-methyl-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 91957305

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide (CID 97465304) is (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide is Cc1cnc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)s1.
What is the InChIKey of (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is MLYFASXVLRUBKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-9-8-17-14(22-9)18-13(20)15(2)7-12(19-21-15)10-5-3-4-6-11(10)16/h3-6,8H,7H2,1-2H3,(H,17,18,20)/t15-/m1/s1.
What are the key properties of (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).