2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid

C15H11NO4 — CID 116690017

IUPAC2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(OCc3ccccc3)oc2c1
InChIInChI=1S/C15H11NO4/c17-14(18)11-6-7-12-13(8-11)20-15(16-12)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyPFGAYBALBXIMDZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.11
Rot. Bonds4

About 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid

2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid (PubChem CID 116690017) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid
PubChem CID116690017
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(OCc3ccccc3)oc2c1
InChIInChI=1S/C15H11NO4/c17-14(18)11-6-7-12-13(8-11)20-15(16-12)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyPFGAYBALBXIMDZ-UHFFFAOYSA-N
XLogP3.11
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690138
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzoxazole-6-carboxylic acid
CID 116690344
2-(3-ethylphenoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690133
2-(2-methylpentoxy)-1,3-benzoxazole-6-carboxylic acid
CID 103283224
2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690057
2-[(2-methylpropan-2-yl)oxymethyl]-1,3-benzoxazole-6-carboxylic acid
CID 112605925
2-(N-methylanilino)-1,3-benzoxazole-6-carboxylic acid
CID 116690397
6-methyl-2-phenylmethoxy-3,1-benzoxazin-4-one
CID 10445679
2-[3-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]-1,3-benzoxazole-6-carboxylic acid
CID 70187931
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-phenylmethoxybenzoate
CID 110494815
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
2-octan-2-yloxy-1,3-benzoxazole-6-carboxylic acid
CID 116690143

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid (CID 116690017) is 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid is O=C(O)c1ccc2nc(OCc3ccccc3)oc2c1.
What is the InChIKey of 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is PFGAYBALBXIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14(18)11-6-7-12-13(8-11)20-15(16-12)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18).
What are the key properties of 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid?
2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 116690017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).