2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile

C13H14N4O — CID 114182305

IUPAC2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
SMILESCc1cnc(C(C)Nc2ccc(N)c(C#N)c2)o1
InChIInChI=1S/C13H14N4O/c1-8-7-16-13(18-8)9(2)17-11-3-4-12(15)10(5-11)6-14/h3-5,7,9,17H,15H2,1-2H3
InChIKeyVOOYSHKQZIEZLN-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile

2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile (PubChem CID 114182305) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
PubChem CID114182305
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
SMILESCc1cnc(C(C)Nc2ccc(N)c(C#N)c2)o1
InChIInChI=1S/C13H14N4O/c1-8-7-16-13(18-8)9(2)17-11-3-4-12(15)10(5-11)6-14/h3-5,7,9,17H,15H2,1-2H3
InChIKeyVOOYSHKQZIEZLN-UHFFFAOYSA-N
XLogP2.61
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 114182306
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732
4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 106544926
2-amino-5-(propan-2-ylamino)benzonitrile
CID 115498951
2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide
CID 106387704
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 106544949
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 103946676
4-bromo-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387609
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
CID 82944887
4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 113413004

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile?
The IUPAC name of 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile (CID 114182305) is 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile is Cc1cnc(C(C)Nc2ccc(N)c(C#N)c2)o1.
What is the InChIKey of 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile?
The InChIKey is VOOYSHKQZIEZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-7-16-13(18-8)9(2)17-11-3-4-12(15)10(5-11)6-14/h3-5,7,9,17H,15H2,1-2H3.
What are the key properties of 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile?
2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile has a molecular weight of 242.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 114182305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).