3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide

C15H17N3O2 — CID 110334119

IUPAC3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C15H17N3O2/c1-3-10-16-13(19)8-9-14-17-18-15(20-14)12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,16,19)
InChIKeyFELPJOHGNUFFGY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.28
Rot. Bonds6

About 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide

3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide (PubChem CID 110334119) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
PubChem CID110334119
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C15H17N3O2/c1-3-10-16-13(19)8-9-14-17-18-15(20-14)12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,16,19)
InChIKeyFELPJOHGNUFFGY-UHFFFAOYSA-N
XLogP2.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334118
N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334212
N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330476
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 110334156
2-(4-fluorophenyl)-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321192
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide
CID 110321211
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
CID 18859405
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55044443
2-[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 34921988

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide (CID 110334119) is 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1nnc(-c2ccccc2C)o1.
What is the InChIKey of 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide?
The InChIKey is FELPJOHGNUFFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-10-16-13(19)8-9-14-17-18-15(20-14)12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,16,19).
What are the key properties of 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide?
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 110334119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).