ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile

C12H13N3O — CID 144584571

IUPACethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
SMILESCC.Cc1nnc(-c2cccc(C#N)c2)o1
InChIInChI=1S/C10H7N3O.C2H6/c1-7-12-13-10(14-7)9-4-2-3-8(5-9)6-11;1-2/h2-5H,1H3;1-2H3
InChIKeyNYGCUYVXVLKPIC-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.94
Rot. Bonds1

About ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile

ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile (PubChem CID 144584571) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile.

Molecular Properties

Compound Nameethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
PubChem CID144584571
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Nameethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
SMILESCC.Cc1nnc(-c2cccc(C#N)c2)o1
InChIInChI=1S/C10H7N3O.C2H6/c1-7-12-13-10(14-7)9-4-2-3-8(5-9)6-11;1-2/h2-5H,1H3;1-2H3
InChIKeyNYGCUYVXVLKPIC-UHFFFAOYSA-N
XLogP2.94
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;2-methyl-5-(3-prop-1-ynylphenyl)-1,3,4-oxadiazole
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ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
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3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile
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3-(5-methylfuran-2-yl)benzonitrile
CID 4058362
2-bromo-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
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3-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 53495040
3-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62137630
2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 97437656
3-[5-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 67070840
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916

Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile?
The IUPAC name of ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile (CID 144584571) is ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile.
What is the SMILES notation for ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile?
The canonical SMILES for ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile is CC.Cc1nnc(-c2cccc(C#N)c2)o1.
What is the InChIKey of ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile?
The InChIKey is NYGCUYVXVLKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O.C2H6/c1-7-12-13-10(14-7)9-4-2-3-8(5-9)6-11;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile?
ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile has a molecular weight of 215.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile is sourced from PubChem (CID 144584571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).