(2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate

C16H13NO4 — CID 110494411

IUPAC(2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc2nc(C)oc2c1
InChIInChI=1S/C16H13NO4/c1-10-17-13-8-7-11(9-15(13)20-10)21-16(18)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3
InChIKeyNFKGRIILGXWMKS-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.36
Rot. Bonds3

About (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate

(2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate (PubChem CID 110494411) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate.

Molecular Properties

Compound Name(2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate
PubChem CID110494411
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc2nc(C)oc2c1
InChIInChI=1S/C16H13NO4/c1-10-17-13-8-7-11(9-15(13)20-10)21-16(18)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3
InChIKeyNFKGRIILGXWMKS-UHFFFAOYSA-N
XLogP3.36
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate 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-methyl-1,3-benzoxazol-6-yl) 2-bromo-3,4,5-trimethoxybenzoate
CID 110494493
(2-methyl-1,3-benzoxazol-6-yl) 3,5-dimethoxybenzoate
CID 110494414
(2-methyl-1,3-benzoxazol-6-yl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 110494476
(2-methyl-1,3-benzoxazol-6-yl) 4-(trifluoromethyl)benzoate
CID 110494488
(2-methyl-1,3-benzoxazol-6-yl) 3-methylbut-2-enoate
CID 110494513
(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate
CID 44963548
(2-methyl-1,3-benzoxazol-6-yl) 2-methoxy-5-methylbenzenesulfonate
CID 110504421
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 3,4-dimethoxybenzoate
CID 110494726
(4-naphthalen-2-ylphenyl) 2-methoxybenzoate
CID 158131394
[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-6-yl] 2-methoxybenzoate
CID 2240944
[3-(2-methoxyphenyl)-2-methyl-4-oxochromen-7-yl] 4-methylbenzoate
CID 2936402

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate?
The IUPAC name of (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate (CID 110494411) is (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate.
What is the SMILES notation for (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate?
The canonical SMILES for (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccc2nc(C)oc2c1.
What is the InChIKey of (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate?
The InChIKey is NFKGRIILGXWMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-10-17-13-8-7-11(9-15(13)20-10)21-16(18)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3.
What are the key properties of (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate?
(2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate has a molecular weight of 283.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzoxazol-6-yl) 2-methoxybenzoate is sourced from PubChem (CID 110494411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).