3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

C12H12FN3O2 — CID 97340394

IUPAC3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1cc(F)cc(C(=O)N[C@H](C)c2ncon2)c1
InChIInChI=1S/C12H12FN3O2/c1-7-3-9(5-10(13)4-7)12(17)15-8(2)11-14-6-18-16-11/h3-6,8H,1-2H3,(H,15,17)/t8-/m1/s1
InChIKeyRVSJVRACQXXYKD-MRVPVSSYSA-N
MW249.25 g/mol
LogP2.01
Rot. Bonds3

About 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 97340394) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID97340394
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1cc(F)cc(C(=O)N[C@H](C)c2ncon2)c1
InChIInChI=1S/C12H12FN3O2/c1-7-3-9(5-10(13)4-7)12(17)15-8(2)11-14-6-18-16-11/h3-6,8H,1-2H3,(H,15,17)/t8-/m1/s1
InChIKeyRVSJVRACQXXYKD-MRVPVSSYSA-N
XLogP2.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide
CID 84597493
5-(3-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 86814689
5-(3-methylphenyl)-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 99776990
5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 99776989
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
CID 78795162
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 120670661
3-fluoro-N-(1-iodo-3-methylbutan-2-yl)-5-methylbenzamide
CID 107859792
1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 130942431
2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112700709
N-(4-chlorobutan-2-yl)-3,5-difluorobenzamide
CID 83180651

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 97340394) is 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is Cc1cc(F)cc(C(=O)N[C@H](C)c2ncon2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is RVSJVRACQXXYKD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-3-9(5-10(13)4-7)12(17)15-8(2)11-14-6-18-16-11/h3-6,8H,1-2H3,(H,15,17)/t8-/m1/s1.
What are the key properties of 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 249.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 97340394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).