1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid

C8H9NO3 — CID 82597269

IUPAC1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)on1
InChIInChI=1S/C8H9NO3/c1-5-4-6(12-9-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyIHAMPVALSBGFAB-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.10
Rot. Bonds2

About 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid

1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 82597269) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID82597269
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)on1
InChIInChI=1S/C8H9NO3/c1-5-4-6(12-9-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyIHAMPVALSBGFAB-UHFFFAOYSA-N
XLogP1.10
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.10
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
2-(3-Tert-butyl-1,2-oxazol-5-yl)acetic acid
CID 16638605
5-(1-Methylcyclopropyl)-1,2-oxazole-3-carboxylic acid
CID 80461560
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
1-(5-Methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxylic acid
CID 82597268
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
Myxofacycline A
CID 169492381
Myxofacycline B
CID 169492382
2-(3-Cyclopropyl-1,2-oxazol-5-yl)acetic acid
CID 82413976
1-(5-Methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 82600845

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid (CID 82597269) is 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CC2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is IHAMPVALSBGFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-4-6(12-9-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid?
1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82597269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).