methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate

C15H11NO4 — CID 135410270

IUPACmethyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate
SMILESCOC(=O)c1cccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C15H11NO4/c1-19-15(18)10-6-4-8-12-13(10)16-14(20-12)9-5-2-3-7-11(9)17/h2-8,17H,1H3
InChIKeyIOSTYUAREPRBCT-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.99
Rot. Bonds2

About methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate

methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate (PubChem CID 135410270) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate
PubChem CID135410270
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namemethyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate
SMILESCOC(=O)c1cccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C15H11NO4/c1-19-15(18)10-6-4-8-12-13(10)16-14(20-12)9-5-2-3-7-11(9)17/h2-8,17H,1H3
InChIKeyIOSTYUAREPRBCT-UHFFFAOYSA-N
XLogP2.99
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

A 33853
CID 133379
2-(2-Benzoxazolyl)phenol
CID 13269
3-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol
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3-(5-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol
CID 135522274
Methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
CID 127748
Caboxamycin
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4-Benzoxazoleacetic acid, 2-phenyl-
CID 43420
2-Methyl-1,3-benzoxazole-6-carboxylic acid
CID 18475689
4-Amino-2-(1,3-benzoxazol-2-yl)phenol
CID 721870
2-(2-Benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 25158917
Methyl 4-(benzoxazol-2-yl)benzoate
CID 650931
4-Amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate?
The IUPAC name of methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate (CID 135410270) is methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate is COC(=O)c1cccc2oc(-c3ccccc3O)nc12.
What is the InChIKey of methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate?
The InChIKey is IOSTYUAREPRBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-15(18)10-6-4-8-12-13(10)16-14(20-12)9-5-2-3-7-11(9)17/h2-8,17H,1H3.
What are the key properties of methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate?
methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 135410270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).