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

C9H10N2O4 — CID 65487181

IUPAC2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CC2C(=O)O)on1
InChIInChI=1S/C9H10N2O4/c1-4-2-7(15-11-4)10-8(12)5-3-6(5)9(13)14/h2,5-6H,3H2,1H3,(H,10,12)(H,13,14)
InChIKeyOKAAZLZMRULEGW-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.64
Rot. Bonds3

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

2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 65487181) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID65487181
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CC2C(=O)O)on1
InChIInChI=1S/C9H10N2O4/c1-4-2-7(15-11-4)10-8(12)5-3-6(5)9(13)14/h2,5-6H,3H2,1H3,(H,10,12)(H,13,14)
InChIKeyOKAAZLZMRULEGW-UHFFFAOYSA-N
XLogP0.64
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 65487181) is 2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid is Cc1cc(NC(=O)C2CC2C(=O)O)on1.
What is the InChIKey of 2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is OKAAZLZMRULEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-4-2-7(15-11-4)10-8(12)5-3-6(5)9(13)14/h2,5-6H,3H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65487181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).