2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid

C15H11NO3 — CID 23468057

IUPAC2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C15H11NO3/c17-15(18)9-14-16-12-8-11(6-7-13(12)19-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyPEDYLWTVKYODNI-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.12
Rot. Bonds3

About 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid

2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid (PubChem CID 23468057) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
PubChem CID23468057
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C15H11NO3/c17-15(18)9-14-16-12-8-11(6-7-13(12)19-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyPEDYLWTVKYODNI-UHFFFAOYSA-N
XLogP3.12
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842
5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 91675035
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
CID 59968233
2-(5-phenyl-1-benzofuran-2-yl)acetic acid
CID 82177271
N-(3-aminopropyl)-2-[(5-phenyl-1,3-benzoxazol-2-yl)methylsulfanyl]acetamide
CID 59934772
2-(6-sulfanyl-1,3-benzoxazol-2-yl)acetic acid
CID 131073240
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 135058168
N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53085292
5-(4-phenylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 155391753
ethyl 2-[3-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]acetate
CID 50850714

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid?
The IUPAC name of 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid (CID 23468057) is 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid is O=C(O)Cc1nc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid?
The InChIKey is PEDYLWTVKYODNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-15(18)9-14-16-12-8-11(6-7-13(12)19-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid?
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid has a molecular weight of 253.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid is sourced from PubChem (CID 23468057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).