2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile

C17H13N3O2 — CID 18184806

IUPAC2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile
SMILESCOc1cc(Nc2ncc(-c3ccccc3)o2)ccc1C#N
InChIInChI=1S/C17H13N3O2/c1-21-15-9-14(8-7-13(15)10-18)20-17-19-11-16(22-17)12-5-3-2-4-6-12/h2-9,11H,1H3,(H,19,20)
InChIKeyQUKDYDVHUOYSOK-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.97
Rot. Bonds4

About 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile

2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile (PubChem CID 18184806) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile
PubChem CID18184806
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile
SMILESCOc1cc(Nc2ncc(-c3ccccc3)o2)ccc1C#N
InChIInChI=1S/C17H13N3O2/c1-21-15-9-14(8-7-13(15)10-18)20-17-19-11-16(22-17)12-5-3-2-4-6-12/h2-9,11H,1H3,(H,19,20)
InChIKeyQUKDYDVHUOYSOK-UHFFFAOYSA-N
XLogP3.97
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile?
The IUPAC name of 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile (CID 18184806) is 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile?
The canonical SMILES for 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile is COc1cc(Nc2ncc(-c3ccccc3)o2)ccc1C#N.
What is the InChIKey of 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile?
The InChIKey is QUKDYDVHUOYSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-21-15-9-14(8-7-13(15)10-18)20-17-19-11-16(22-17)12-5-3-2-4-6-12/h2-9,11H,1H3,(H,19,20).
What are the key properties of 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile?
2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile has a molecular weight of 291.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile is sourced from PubChem (CID 18184806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).