2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile

C11H9N3O2 — CID 70018992

IUPAC2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile
SMILESCOc1cc(Nc2ncco2)ccc1C#N
InChIInChI=1S/C11H9N3O2/c1-15-10-6-9(3-2-8(10)7-12)14-11-13-4-5-16-11/h2-6H,1H3,(H,13,14)
InChIKeyGCASNMXPWMHPIF-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.30
Rot. Bonds3

About 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile

2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile (PubChem CID 70018992) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile
PubChem CID70018992
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile
SMILESCOc1cc(Nc2ncco2)ccc1C#N
InChIInChI=1S/C11H9N3O2/c1-15-10-6-9(3-2-8(10)7-12)14-11-13-4-5-16-11/h2-6H,1H3,(H,13,14)
InChIKeyGCASNMXPWMHPIF-UHFFFAOYSA-N
XLogP2.30
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile?
The IUPAC name of 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile (CID 70018992) is 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile.
What is the SMILES notation for 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile?
The canonical SMILES for 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile is COc1cc(Nc2ncco2)ccc1C#N.
What is the InChIKey of 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile?
The InChIKey is GCASNMXPWMHPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-15-10-6-9(3-2-8(10)7-12)14-11-13-4-5-16-11/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile?
2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile has a molecular weight of 215.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1,3-oxazol-2-ylamino)benzonitrile is sourced from PubChem (CID 70018992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).