1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate

C19H13NO4 — CID 40734632

IUPAC1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1nc2ccccc2o1)c1cc2ccccc2cc1O
InChIInChI=1S/C19H13NO4/c21-16-10-13-6-2-1-5-12(13)9-14(16)19(22)23-11-18-20-15-7-3-4-8-17(15)24-18/h1-10,21H,11H2
InChIKeyWBDXWOXPCKAVPG-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.04
Rot. Bonds3

About 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate

1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate (PubChem CID 40734632) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate
PubChem CID40734632
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1nc2ccccc2o1)c1cc2ccccc2cc1O
InChIInChI=1S/C19H13NO4/c21-16-10-13-6-2-1-5-12(13)9-14(16)19(22)23-11-18-20-15-7-3-4-8-17(15)24-18/h1-10,21H,11H2
InChIKeyWBDXWOXPCKAVPG-UHFFFAOYSA-N
XLogP4.04
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
1,3-benzoxazol-2-ylmethyl 2-(2-phenoxyethoxy)benzoate
CID 9405475
1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate
CID 18192162
1,3-benzoxazol-2-ylmethyl 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913125
1,3-benzoxazol-2-ylmethyl 4-(dimethylamino)benzoate
CID 9325069
1,3-benzoxazol-2-ylmethyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42314153
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2098412
1,3-benzoxazol-2-ylmethyl 5-ethyl-4-methylthiophene-2-carboxylate
CID 18192196
(4-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 977864
(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 7891532
1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
CID 25498133
1,3-benzoxazol-2-ylmethyl 4-[(2-amino-2-oxoethyl)amino]benzoate
CID 71938022

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate (CID 40734632) is 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate is O=C(OCc1nc2ccccc2o1)c1cc2ccccc2cc1O.
What is the InChIKey of 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is WBDXWOXPCKAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-16-10-13-6-2-1-5-12(13)9-14(16)19(22)23-11-18-20-15-7-3-4-8-17(15)24-18/h1-10,21H,11H2.
What are the key properties of 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate?
1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 40734632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).