3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile

C12H10N2O3 — CID 117052908

IUPAC3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile
SMILESCOc1cccc(C#N)c1OCc1ccon1
InChIInChI=1S/C12H10N2O3/c1-15-11-4-2-3-9(7-13)12(11)16-8-10-5-6-17-14-10/h2-6H,8H2,1H3
InChIKeySFQAYCFPZPPFJZ-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.13
Rot. Bonds4

About 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile

3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile (PubChem CID 117052908) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile
PubChem CID117052908
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile
SMILESCOc1cccc(C#N)c1OCc1ccon1
InChIInChI=1S/C12H10N2O3/c1-15-11-4-2-3-9(7-13)12(11)16-8-10-5-6-17-14-10/h2-6H,8H2,1H3
InChIKeySFQAYCFPZPPFJZ-UHFFFAOYSA-N
XLogP2.13
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate
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3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
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3-[(2-methoxyphenyl)methyl]-1,2-oxazole
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3-methoxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile?
The IUPAC name of 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile (CID 117052908) is 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile.
What is the SMILES notation for 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile?
The canonical SMILES for 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile is COc1cccc(C#N)c1OCc1ccon1.
What is the InChIKey of 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile?
The InChIKey is SFQAYCFPZPPFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-15-11-4-2-3-9(7-13)12(11)16-8-10-5-6-17-14-10/h2-6H,8H2,1H3.
What are the key properties of 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile?
3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile has a molecular weight of 230.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile is sourced from PubChem (CID 117052908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).