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

C7H7NO3 — CID 82595098

IUPAC1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncco2)CC1
InChIInChI=1S/C7H7NO3/c9-6(10)7(1-2-7)5-8-3-4-11-5/h3-4H,1-2H2,(H,9,10)
InChIKeyXVRRDPWLPNJMBU-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.79
Rot. Bonds2

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

1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 82595098) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID82595098
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncco2)CC1
InChIInChI=1S/C7H7NO3/c9-6(10)7(1-2-7)5-8-3-4-11-5/h3-4H,1-2H2,(H,9,10)
InChIKeyXVRRDPWLPNJMBU-UHFFFAOYSA-N
XLogP0.79
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-Oxazol-2-yl)propanoic acid
CID 18755235
2-Methyl-2-(2-oxazolyl)propanoic Acid
CID 82416415
1-(1,3-Oxazol-2-yl)cyclobutane-1-carboxylic acid
CID 82597267
2-Oxazoleacetic acid
CID 21873081
Oxooxazolepropionic acid
CID 129802823
Ethyl 2,2-difluoro-2-(1,3-oxazol-2-yl)acetate
CID 165510283
2,2-Difluoro-2-(1,3-oxazol-2-yl)acetic acid
CID 165835870
2-(1,3-Oxazol-2-yl)ethan-1-ol
CID 17778411
2-(1,3-Oxazol-2-yl)-2-oxoacetic acid
CID 20526943
2-(1,3-Oxazol-2-yl)propanoicacid
CID 21255527
3-Methyl-3-(1,3-oxazol-2-yl)butan-2-one
CID 54279222
Ethyl 2-(1,3-oxazol-2-YL)acetate
CID 55263081

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid (CID 82595098) is 1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ncco2)CC1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is XVRRDPWLPNJMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-6(10)7(1-2-7)5-8-3-4-11-5/h3-4H,1-2H2,(H,9,10).
What are the key properties of 1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid?
1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82595098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).