N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide

C13H15FN2O2 — CID 95052038

IUPACN-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
SMILESCC1=NO[C@](C)(CNC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H15FN2O2/c1-9-7-13(2,18-16-9)8-15-12(17)10-4-3-5-11(14)6-10/h3-6H,7-8H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyVUHCHIHTOACHQA-ZDUSSCGKSA-N
MW250.27 g/mol
LogP2.11
Rot. Bonds3

About N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide

N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide (PubChem CID 95052038) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
PubChem CID95052038
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
SMILESCC1=NO[C@](C)(CNC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H15FN2O2/c1-9-7-13(2,18-16-9)8-15-12(17)10-4-3-5-11(14)6-10/h3-6H,7-8H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyVUHCHIHTOACHQA-ZDUSSCGKSA-N
XLogP2.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(5R)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
CID 95052037
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 114758444
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 7427818
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide (CID 95052038) is N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide is CC1=NO[C@](C)(CNC(=O)c2cccc(F)c2)C1.
What is the InChIKey of N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide?
The InChIKey is VUHCHIHTOACHQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9-7-13(2,18-16-9)8-15-12(17)10-4-3-5-11(14)6-10/h3-6H,7-8H2,1-2H3,(H,15,17)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide?
N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide has a molecular weight of 250.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 95052038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).