2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile

C14H10N4O — CID 70701448

IUPAC2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc3cnccc3c2)nc1C#N
InChIInChI=1S/C14H10N4O/c1-16-14-12(7-15)18-13(19-14)10-2-3-11-8-17-5-4-9(11)6-10/h2-6,8,16H,1H3
InChIKeyWNUNVKBYFYDXJL-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.80
Rot. Bonds2

About 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile

2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 70701448) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile
PubChem CID70701448
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc3cnccc3c2)nc1C#N
InChIInChI=1S/C14H10N4O/c1-16-14-12(7-15)18-13(19-14)10-2-3-11-8-17-5-4-9(11)6-10/h2-6,8,16H,1H3
InChIKeyWNUNVKBYFYDXJL-UHFFFAOYSA-N
XLogP2.80
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile (CID 70701448) is 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile is CNc1oc(-c2ccc3cnccc3c2)nc1C#N.
What is the InChIKey of 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is WNUNVKBYFYDXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-16-14-12(7-15)18-13(19-14)10-2-3-11-8-17-5-4-9(11)6-10/h2-6,8,16H,1H3.
What are the key properties of 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile?
2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-6-yl-5-(methylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 70701448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).