N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide

C19H18FN3O2 — CID 92895825

IUPACN-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1
InChIInChI=1S/C19H18FN3O2/c1-3-12(2)21-18(24)14-7-4-8-15(10-14)19-22-17(23-25-19)13-6-5-9-16(20)11-13/h4-12H,3H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyILUXWWNFSXJTCS-LBPRGKRZSA-N
MW339.37 g/mol
LogP4.07
Rot. Bonds5

About N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide

N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 92895825) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID92895825
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1
InChIInChI=1S/C19H18FN3O2/c1-3-12(2)21-18(24)14-7-4-8-15(10-14)19-22-17(23-25-19)13-6-5-9-16(20)11-13/h4-12H,3H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyILUXWWNFSXJTCS-LBPRGKRZSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92729267
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99865931
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
1-[(2R)-butan-2-yl]-3-[3-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92868277
1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888759
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 50778877
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
1-butan-2-yl-3-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 46321489
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 92895825) is N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is CC[C@H](C)NC(=O)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is ILUXWWNFSXJTCS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-12(2)21-18(24)14-7-4-8-15(10-14)19-22-17(23-25-19)13-6-5-9-16(20)11-13/h4-12H,3H2,1-2H3,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 92895825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).