N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C15H19N3O2 — CID 2002505

IUPACN-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)CNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C15H19N3O2/c1-11(2)10-16-13(19)8-9-14-17-15(18-20-14)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19)
InChIKeyINGMPXBMFUCPDE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.44
Rot. Bonds6

About N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 2002505) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID2002505
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)CNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C15H19N3O2/c1-11(2)10-16-13(19)8-9-14-17-15(18-20-14)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19)
InChIKeyINGMPXBMFUCPDE-UHFFFAOYSA-N
XLogP2.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 2002505) is N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)CNC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is INGMPXBMFUCPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)10-16-13(19)8-9-14-17-15(18-20-14)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 2002505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).