2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid

C8H9NO3 — CID 82413976

IUPAC2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)no1
InChIInChI=1S/C8H9NO3/c10-8(11)4-6-3-7(9-12-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyUKHQTXPEYDZFTJ-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.18
Rot. Bonds3

About 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid

2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid (PubChem CID 82413976) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid
PubChem CID82413976
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)no1
InChIInChI=1S/C8H9NO3/c10-8(11)4-6-3-7(9-12-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyUKHQTXPEYDZFTJ-UHFFFAOYSA-N
XLogP1.18
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methyl-1,2-oxazol-5-yl)acetic acid
CID 4195532
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
2-(3-Phenylisoxazol-5-yl)acetic acid
CID 1278801
3(t-Butyl)isoxazole-5-yl-acetic acid
CID 16638605
4-(3-Methyl-1,2-oxazol-5-yl)oxane-4-carboxylic acid
CID 82394680
3-Methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
CID 82407338
2-(5-Cyclopropyl-1,2-oxazol-3-yl)acetic acid
CID 82413932
1-(3-Methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid
CID 82597269
2-(3-Methyl-1,2-oxazol-5-yl)butanoic acid
CID 82597890
2-Methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid
CID 83858682
9-(3-Propylisoxazol-5-yl)nonanoic acid
CID 76324549
Myxofacycline A
CID 169492381

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid (CID 82413976) is 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid is O=C(O)Cc1cc(C2CC2)no1.
What is the InChIKey of 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid?
The InChIKey is UKHQTXPEYDZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-8(11)4-6-3-7(9-12-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11).
What are the key properties of 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid?
2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2-oxazol-5-yl)acetic acid is sourced from PubChem (CID 82413976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).