3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C9H10N2O4 — CID 107369563

IUPAC3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC1CC1NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C9H10N2O4/c1-4-2-5(4)10-8(12)6-3-7(9(13)14)15-11-6/h3-5H,2H2,1H3,(H,10,12)(H,13,14)
InChIKeyQFNVNIJXIPBONI-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.51
Rot. Bonds3

About 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369563) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369563
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC1CC1NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C9H10N2O4/c1-4-2-5(4)10-8(12)6-3-7(9(13)14)15-11-6/h3-5H,2H2,1H3,(H,10,12)(H,13,14)
InChIKeyQFNVNIJXIPBONI-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369563) is 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CC1CC1NC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is QFNVNIJXIPBONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-4-2-5(4)10-8(12)6-3-7(9(13)14)15-11-6/h3-5H,2H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).