2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine

C14H13N3O2 — CID 11425351

IUPAC2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1cnc(/C=C/c2nc3ccccc3o2)o1
InChIInChI=1S/C14H13N3O2/c1-17(2)14-9-15-12(19-14)7-8-13-16-10-5-3-4-6-11(10)18-13/h3-9H,1-2H3/b8-7+
InChIKeyGQTSMFMPUCZRRB-BQYQJAHWSA-N
MW255.28 g/mol
LogP3.05
Rot. Bonds3

About 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine

2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine (PubChem CID 11425351) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine
PubChem CID11425351
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1cnc(/C=C/c2nc3ccccc3o2)o1
InChIInChI=1S/C14H13N3O2/c1-17(2)14-9-15-12(19-14)7-8-13-16-10-5-3-4-6-11(10)18-13/h3-9H,1-2H3/b8-7+
InChIKeyGQTSMFMPUCZRRB-BQYQJAHWSA-N
XLogP3.05
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine 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-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083405
2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole
CID 3767247
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 20692325
4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 136810517
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407
2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole
CID 12820843
2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]-methylamino]acetic acid
CID 43356239

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine?
The IUPAC name of 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine (CID 11425351) is 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine is CN(C)c1cnc(/C=C/c2nc3ccccc3o2)o1.
What is the InChIKey of 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine?
The InChIKey is GQTSMFMPUCZRRB-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17(2)14-9-15-12(19-14)7-8-13-16-10-5-3-4-6-11(10)18-13/h3-9H,1-2H3/b8-7+.
What are the key properties of 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine?
2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine has a molecular weight of 255.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 11425351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).