2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid

C12H11NO4 — CID 117337514

IUPAC2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cccc3oc(=O)[nH]c23)CC1
InChIInChI=1S/C12H11NO4/c14-9(15)6-12(4-5-12)7-2-1-3-8-10(7)13-11(16)17-8/h1-3H,4-6H2,(H,13,16)(H,14,15)
InChIKeyBPMUDBOBXBGVLE-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.63
Rot. Bonds3

About 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid

2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid (PubChem CID 117337514) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid
PubChem CID117337514
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cccc3oc(=O)[nH]c23)CC1
InChIInChI=1S/C12H11NO4/c14-9(15)6-12(4-5-12)7-2-1-3-8-10(7)13-11(16)17-8/h1-3H,4-6H2,(H,13,16)(H,14,15)
InChIKeyBPMUDBOBXBGVLE-UHFFFAOYSA-N
XLogP1.63
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(aminomethyl)cyclopropyl]-3H-1,3-benzoxazol-2-one
CID 117292427
4-(1-hydroxycyclopropyl)-3H-1,3-benzoxazol-2-one
CID 117282170
2-[1-(1,2-benzoxazol-4-yl)cyclopropyl]acetic acid
CID 84785120
2-[1-(2-oxo-1,3-benzoxathiol-7-yl)cyclopropyl]acetic acid
CID 117378690
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
CID 82289741
4-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one
CID 117277918
(E)-3-(2-oxo-3H-1,3-benzoxazol-4-yl)prop-2-enoic acid
CID 134613261
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid
CID 117373794
2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117107629

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid (CID 117337514) is 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid is O=C(O)CC1(c2cccc3oc(=O)[nH]c23)CC1.
What is the InChIKey of 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid?
The InChIKey is BPMUDBOBXBGVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-9(15)6-12(4-5-12)7-2-1-3-8-10(7)13-11(16)17-8/h1-3H,4-6H2,(H,13,16)(H,14,15).
What are the key properties of 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid?
2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid has a molecular weight of 233.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-3H-1,3-benzoxazol-4-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117337514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).