N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H16FN3O2S — CID 17464848

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1F
InChIInChI=1S/C17H16FN3O2S/c1-11-2-3-12(8-14(11)18)9-19-15(22)4-5-16-20-17(21-23-16)13-6-7-24-10-13/h2-3,6-8,10H,4-5,9H2,1H3,(H,19,22)
InChIKeyBKLIYEBUPJEVLS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.49
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 17464848) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID17464848
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1F
InChIInChI=1S/C17H16FN3O2S/c1-11-2-3-12(8-14(11)18)9-19-15(22)4-5-16-20-17(21-23-16)13-6-7-24-10-13/h2-3,6-8,10H,4-5,9H2,1H3,(H,19,22)
InChIKeyBKLIYEBUPJEVLS-UHFFFAOYSA-N
XLogP3.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 17464848) is N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BKLIYEBUPJEVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11-2-3-12(8-14(11)18)9-19-15(22)4-5-16-20-17(21-23-16)13-6-7-24-10-13/h2-3,6-8,10H,4-5,9H2,1H3,(H,19,22).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 17464848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).