4-methoxy-6-phenyl-2,1-benzoxazol-3-amine

C14H12N2O2 — CID 146278292

IUPAC4-methoxy-6-phenyl-2,1-benzoxazol-3-amine
SMILESCOc1cc(-c2ccccc2)cc2noc(N)c12
InChIInChI=1S/C14H12N2O2/c1-17-12-8-10(9-5-3-2-4-6-9)7-11-13(12)14(15)18-16-11/h2-8H,15H2,1H3
InChIKeyBGIXKEQIVIVUKG-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.09
Rot. Bonds2

About 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine

4-methoxy-6-phenyl-2,1-benzoxazol-3-amine (PubChem CID 146278292) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name4-methoxy-6-phenyl-2,1-benzoxazol-3-amine
PubChem CID146278292
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-methoxy-6-phenyl-2,1-benzoxazol-3-amine
SMILESCOc1cc(-c2ccccc2)cc2noc(N)c12
InChIInChI=1S/C14H12N2O2/c1-17-12-8-10(9-5-3-2-4-6-9)7-11-13(12)14(15)18-16-11/h2-8H,15H2,1H3
InChIKeyBGIXKEQIVIVUKG-UHFFFAOYSA-N
XLogP3.09
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
2-benzyl-1,3-dimethoxy-5-phenylbenzene
CID 16741983
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
4-ethoxy-2,1-benzoxazol-3-amine
CID 146278299
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
2,3-dimethoxy-5-phenylphenol
CID 135042969
3-methoxy-2-methyl-5-phenylpyridine
CID 133095590
6-methoxy-4-phenylpyridin-2-amine
CID 118992617
3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43336010
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
CID 175508385
CID 175508385

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine?
The IUPAC name of 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine (CID 146278292) is 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine.
What is the SMILES notation for 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine?
The canonical SMILES for 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine is COc1cc(-c2ccccc2)cc2noc(N)c12.
What is the InChIKey of 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine?
The InChIKey is BGIXKEQIVIVUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-12-8-10(9-5-3-2-4-6-9)7-11-13(12)14(15)18-16-11/h2-8H,15H2,1H3.
What are the key properties of 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine?
4-methoxy-6-phenyl-2,1-benzoxazol-3-amine has a molecular weight of 240.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-phenyl-2,1-benzoxazol-3-amine is sourced from PubChem (CID 146278292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).