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

C17H16FN3O2S — CID 18129853

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cc(CNC(=O)CCc2nc(-c3cccs3)no2)ccc1F
InChIInChI=1S/C17H16FN3O2S/c1-11-9-12(4-5-13(11)18)10-19-15(22)6-7-16-20-17(21-23-16)14-3-2-8-24-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)
InChIKeyZDQSXZLWAVLITL-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.49
Rot. Bonds6

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

N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18129853) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18129853
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cc(CNC(=O)CCc2nc(-c3cccs3)no2)ccc1F
InChIInChI=1S/C17H16FN3O2S/c1-11-9-12(4-5-13(11)18)10-19-15(22)6-7-16-20-17(21-23-16)14-3-2-8-24-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)
InChIKeyZDQSXZLWAVLITL-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-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18129853) is N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1cc(CNC(=O)CCc2nc(-c3cccs3)no2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is ZDQSXZLWAVLITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11-9-12(4-5-13(11)18)10-19-15(22)6-7-16-20-17(21-23-16)14-3-2-8-24-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,22).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-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-[(4-fluoro-3-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18129853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).