2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine

C15H13ClN2O2 — CID 91673887

IUPAC2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
SMILESCOc1ccc(Cl)cc1-c1nc2cc(N)cc(C)c2o1
InChIInChI=1S/C15H13ClN2O2/c1-8-5-10(17)7-12-14(8)20-15(18-12)11-6-9(16)3-4-13(11)19-2/h3-7H,17H2,1-2H3
InChIKeyIODGHQUGAMBNQU-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.05
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine

2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine (PubChem CID 91673887) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
PubChem CID91673887
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
SMILESCOc1ccc(Cl)cc1-c1nc2cc(N)cc(C)c2o1
InChIInChI=1S/C15H13ClN2O2/c1-8-5-10(17)7-12-14(8)20-15(18-12)11-6-9(16)3-4-13(11)19-2/h3-7H,17H2,1-2H3
InChIKeyIODGHQUGAMBNQU-UHFFFAOYSA-N
XLogP4.05
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine (CID 91673887) is 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine is COc1ccc(Cl)cc1-c1nc2cc(N)cc(C)c2o1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine?
The InChIKey is IODGHQUGAMBNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-8-5-10(17)7-12-14(8)20-15(18-12)11-6-9(16)3-4-13(11)19-2/h3-7H,17H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine?
2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine has a molecular weight of 288.73 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91673887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).