N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H20FN3O2S — CID 18090616

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)C(NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-12(2)18(13-3-5-15(20)6-4-13)21-16(24)7-8-17-22-19(23-25-17)14-9-10-26-11-14/h3-6,9-12,18H,7-8H2,1-2H3,(H,21,24)
InChIKeyJOTXPPKYWRWVFW-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.38
Rot. Bonds7

About N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18090616) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18090616
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)C(NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-12(2)18(13-3-5-15(20)6-4-13)21-16(24)7-8-17-22-19(23-25-17)14-9-10-26-11-14/h3-6,9-12,18H,7-8H2,1-2H3,(H,21,24)
InChIKeyJOTXPPKYWRWVFW-UHFFFAOYSA-N
XLogP4.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18090616) is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)C(NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JOTXPPKYWRWVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-12(2)18(13-3-5-15(20)6-4-13)21-16(24)7-8-17-22-19(23-25-17)14-9-10-26-11-14/h3-6,9-12,18H,7-8H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 373.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18090616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).