N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide

C17H20FN3O2 — CID 122152905

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)Cc1noc(C2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-11(12-5-7-14(18)8-6-12)9-16(22)21(2)10-15-19-17(23-20-15)13-3-4-13/h5-8,11,13H,3-4,9-10H2,1-2H3
InChIKeyWPNNRRBNXQNVCJ-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.24
Rot. Bonds6

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide (PubChem CID 122152905) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide
PubChem CID122152905
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)Cc1noc(C2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-11(12-5-7-14(18)8-6-12)9-16(22)21(2)10-15-19-17(23-20-15)13-3-4-13/h5-8,11,13H,3-4,9-10H2,1-2H3
InChIKeyWPNNRRBNXQNVCJ-UHFFFAOYSA-N
XLogP3.24
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide (CID 122152905) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide is CC(CC(=O)N(C)Cc1noc(C2CC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide?
The InChIKey is WPNNRRBNXQNVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11(12-5-7-14(18)8-6-12)9-16(22)21(2)10-15-19-17(23-20-15)13-3-4-13/h5-8,11,13H,3-4,9-10H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide has a molecular weight of 317.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide is sourced from PubChem (CID 122152905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).