2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile

C10H8N2O2 — CID 131189180

IUPAC2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile
SMILESCOc1nc2cccc(CC#N)c2o1
InChIInChI=1S/C10H8N2O2/c1-13-10-12-8-4-2-3-7(5-6-11)9(8)14-10/h2-4H,5H2,1H3
InChIKeyYJFOKPSDTGEAHQ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile

2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile (PubChem CID 131189180) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile
PubChem CID131189180
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile
SMILESCOc1nc2cccc(CC#N)c2o1
InChIInChI=1S/C10H8N2O2/c1-13-10-12-8-4-2-3-7(5-6-11)9(8)14-10/h2-4H,5H2,1H3
InChIKeyYJFOKPSDTGEAHQ-UHFFFAOYSA-N
XLogP1.90
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(fluoromethyl)-2-methoxy-1,3-benzoxazole
CID 131169380
2-(2-acetyl-1,3-benzoxazol-7-yl)acetonitrile
CID 119009609
2-[7-(aminomethyl)-1,3-benzoxazol-2-yl]acetonitrile
CID 131012085
2-methoxy-1,3-benzoxazole-7-carbaldehyde
CID 131191307
7-(chloromethyl)-2-ethoxy-1,3-benzoxazole
CID 130849135
2-(1,2-benzoxazol-7-yl)acetonitrile
CID 70358580
2-(7-methoxy-1-benzofuran-3-yl)acetonitrile
CID 15618729
(2-methoxy-1,3-benzoxazol-4-yl)methanol
CID 117277912
2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile
CID 82503447
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile?
The IUPAC name of 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile (CID 131189180) is 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile.
What is the SMILES notation for 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile?
The canonical SMILES for 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile is COc1nc2cccc(CC#N)c2o1.
What is the InChIKey of 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile?
The InChIKey is YJFOKPSDTGEAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-13-10-12-8-4-2-3-7(5-6-11)9(8)14-10/h2-4H,5H2,1H3.
What are the key properties of 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile?
2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile has a molecular weight of 188.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile is sourced from PubChem (CID 131189180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).