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

C12H11NO3 — CID 83887429

IUPAC2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2nc(C3CC3)oc12
InChIInChI=1S/C12H11NO3/c14-10(15)6-8-2-1-3-9-11(8)16-12(13-9)7-4-5-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyGDDUYRHXUZGBCR-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.33
Rot. Bonds3

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

2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid (PubChem CID 83887429) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
PubChem CID83887429
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2nc(C3CC3)oc12
InChIInChI=1S/C12H11NO3/c14-10(15)6-8-2-1-3-9-11(8)16-12(13-9)7-4-5-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyGDDUYRHXUZGBCR-UHFFFAOYSA-N
XLogP2.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-7-ethyl-1,3-benzoxazole
CID 82229837
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551979
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
CID 54270263
2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid
CID 82125302
1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine
CID 96601239
2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid
CID 105489089
2-(4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)acetic acid
CID 68585401
N-[4-(1,3-benzoxazol-2-yl)cyclohexyl]-2-chloro-2-fluoroacetamide
CID 166428062
2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid
CID 81346576
2-acridin-9-ylacetic acid
CID 15525099
2-(2-methylcyclopropyl)-1,3-benzoxazole-7-carboxylic acid
CID 81346356

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid?
The IUPAC name of 2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid (CID 83887429) is 2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid is O=C(O)Cc1cccc2nc(C3CC3)oc12.
What is the InChIKey of 2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid?
The InChIKey is GDDUYRHXUZGBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-10(15)6-8-2-1-3-9-11(8)16-12(13-9)7-4-5-7/h1-3,7H,4-6H2,(H,14,15).
What are the key properties of 2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid?
2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid has a molecular weight of 217.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid is sourced from PubChem (CID 83887429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).