2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile

C14H9N3O — CID 106524461

IUPAC2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C14H9N3O/c15-8-7-13-16-14(17-18-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7H2
InChIKeyNJBZUWTUABHYCD-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.96
Rot. Bonds2

About 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile

2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile (PubChem CID 106524461) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
PubChem CID106524461
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C14H9N3O/c15-8-7-13-16-14(17-18-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7H2
InChIKeyNJBZUWTUABHYCD-UHFFFAOYSA-N
XLogP2.96
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 16779790
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526372
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 62716244
methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 44543077
2-methoxy-N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63771663
2-(3-naphthalen-2-ylphenyl)acetonitrile
CID 118847574
2-[3-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 16779109
2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106524273
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106526091
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
CID 8593214

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
The IUPAC name of 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile (CID 106524461) is 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile is N#CCc1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
The InChIKey is NJBZUWTUABHYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c15-8-7-13-16-14(17-18-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7H2.
What are the key properties of 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile has a molecular weight of 235.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile is sourced from PubChem (CID 106524461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).