N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

C19H16N4O2 — CID 138586480

IUPACN-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(Cc1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H16N4O2/c1-13(24)21-17(11-14-7-9-15(12-20)10-8-14)19-23-22-18(25-19)16-5-3-2-4-6-16/h2-10,17H,11H2,1H3,(H,21,24)
InChIKeySRCWGWPTXODTHI-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 138586480) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID138586480
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(Cc1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H16N4O2/c1-13(24)21-17(11-14-7-9-15(12-20)10-8-14)19-23-22-18(25-19)16-5-3-2-4-6-16/h2-10,17H,11H2,1H3,(H,21,24)
InChIKeySRCWGWPTXODTHI-UHFFFAOYSA-N
XLogP3.03
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide;hydrochloride
CID 138586563
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099643
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099644
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7605153
9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 166445901
1-(4-chlorophenyl)-3-[(1S)-2-(4-cyanophenyl)-1-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 135238959
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200
(4-cyanophenyl)methyl (3R)-3-acetamido-3-phenylpropanoate
CID 7132798
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 90026926
ethyl 2-acetamido-3-(4-cyanophenyl)propanoate
CID 10869023
N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391027
2-[5-[(1S)-1-acetamido-2-[4-(aminomethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]-2-methylpropanamide
CID 138601422

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 138586480) is N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is CC(=O)NC(Cc1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is SRCWGWPTXODTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13(24)21-17(11-14-7-9-15(12-20)10-8-14)19-23-22-18(25-19)16-5-3-2-4-6-16/h2-10,17H,11H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 332.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 138586480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).