2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid

C13H13NO3 — CID 105489089

IUPAC2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2c(C3CCC3)noc12
InChIInChI=1S/C13H13NO3/c15-11(16)7-9-5-2-6-10-12(8-3-1-4-8)14-17-13(9)10/h2,5-6,8H,1,3-4,7H2,(H,15,16)
InChIKeyKZGBAHATDXVLCJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid

2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid (PubChem CID 105489089) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid
PubChem CID105489089
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2c(C3CCC3)noc12
InChIInChI=1S/C13H13NO3/c15-11(16)7-9-5-2-6-10-12(8-3-1-4-8)14-17-13(9)10/h2,5-6,8H,1,3-4,7H2,(H,15,16)
InChIKeyKZGBAHATDXVLCJ-UHFFFAOYSA-N
XLogP2.72
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclohexylisoquinolin-5-yl)acetic acid
CID 12832775
2-[(7-chloro-3-cyclohexyl-1,2-benzoxazol-6-yl)oxy]acetic acid
CID 70415290
2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid
CID 105487842
2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
CID 83887429
3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol
CID 84672235
4-cyclopropyl-2,3-benzoxazin-1-one
CID 121219899
3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid
CID 84677644
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-N,N-diethylethanamine;bis(but-2-enedioic acid)
CID 70410215
7-(4-chloro-3-pyridinyl)-3-cyclopropyl-1,2-benzoxazole
CID 71544320
7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
CID 84711773
[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate
CID 13078339

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid?
The IUPAC name of 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid (CID 105489089) is 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid?
The canonical SMILES for 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid is O=C(O)Cc1cccc2c(C3CCC3)noc12.
What is the InChIKey of 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid?
The InChIKey is KZGBAHATDXVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-11(16)7-9-5-2-6-10-12(8-3-1-4-8)14-17-13(9)10/h2,5-6,8H,1,3-4,7H2,(H,15,16).
What are the key properties of 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid?
2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid has a molecular weight of 231.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid is sourced from PubChem (CID 105489089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).