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

C15H19N3O2 — CID 51217058

IUPACN-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCC(C)NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H19N3O2/c1-3-11(2)16-13(19)9-10-14-17-18-15(20-14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyYOPSGSOXDJTNKQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.58
Rot. Bonds6

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

N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 51217058) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID51217058
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCC(C)NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H19N3O2/c1-3-11(2)16-13(19)9-10-14-17-18-15(20-14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyYOPSGSOXDJTNKQ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 110890211
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
CID 120703097
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334
N-[1-(2,4-difluorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017196
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46447071
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
N-[(2R)-butan-2-yl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762142
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]propanamide
CID 51947919

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 51217058) is N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CCC(C)NC(=O)CCc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is YOPSGSOXDJTNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-11(2)16-13(19)9-10-14-17-18-15(20-14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 51217058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).