(2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide

C14H15FN2O4S — CID 94025619

IUPAC(2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2O4S/c1-9(13(18)16-2)22(19,20)8-12-7-21-14(17-12)10-4-3-5-11(15)6-10/h3-7,9H,8H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyHFRRCNZTUCTTFK-SECBINFHSA-N
MW326.35 g/mol
LogP1.53
Rot. Bonds5

About (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide

(2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide (PubChem CID 94025619) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide
PubChem CID94025619
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name(2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2O4S/c1-9(13(18)16-2)22(19,20)8-12-7-21-14(17-12)10-4-3-5-11(15)6-10/h3-7,9H,8H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyHFRRCNZTUCTTFK-SECBINFHSA-N
XLogP1.53
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 51947143
(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 51947141
N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
CID 55746214
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 112818351
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465
(2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one
CID 94029184
methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
CID 34061652
(2S)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946888
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide
CID 34062443
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 166392291

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide (CID 94025619) is (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide is CNC(=O)[C@@H](C)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide?
The InChIKey is HFRRCNZTUCTTFK-SECBINFHSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-9(13(18)16-2)22(19,20)8-12-7-21-14(17-12)10-4-3-5-11(15)6-10/h3-7,9H,8H2,1-2H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide?
(2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide has a molecular weight of 326.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide is sourced from PubChem (CID 94025619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).