N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide

C13H12N4O2 — CID 110333736

IUPACN-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1nnc(CCC(=O)Nc2ccc(C#N)cc2)o1
InChIInChI=1S/C13H12N4O2/c1-9-16-17-13(19-9)7-6-12(18)15-11-4-2-10(8-14)3-5-11/h2-5H,6-7H2,1H3,(H,15,18)
InChIKeyOIIDFDXVNPJEOE-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.82
Rot. Bonds4

About N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide

N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110333736) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110333736
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1nnc(CCC(=O)Nc2ccc(C#N)cc2)o1
InChIInChI=1S/C13H12N4O2/c1-9-16-17-13(19-9)7-6-12(18)15-11-4-2-10(8-14)3-5-11/h2-5H,6-7H2,1H3,(H,15,18)
InChIKeyOIIDFDXVNPJEOE-UHFFFAOYSA-N
XLogP1.82
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-phenoxyphenyl)propanamide
CID 110333704
N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333672
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(2,6-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333728
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)pentanamide
CID 2162994
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593
N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229421
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate
CID 41484605

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide (CID 110333736) is N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide is Cc1nnc(CCC(=O)Nc2ccc(C#N)cc2)o1.
What is the InChIKey of N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is OIIDFDXVNPJEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-9-16-17-13(19-9)7-6-12(18)15-11-4-2-10(8-14)3-5-11/h2-5H,6-7H2,1H3,(H,15,18).
What are the key properties of N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide?
N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110333736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).