2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide

C8H10N2O3 — CID 131065219

IUPAC2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide
SMILESCONC(=O)c1coc(C2CC2)n1
InChIInChI=1S/C8H10N2O3/c1-12-10-7(11)6-4-13-8(9-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyBRPHYSDISDLXAD-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.84
Rot. Bonds3

About 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide

2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide (PubChem CID 131065219) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide
PubChem CID131065219
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide
SMILESCONC(=O)c1coc(C2CC2)n1
InChIInChI=1S/C8H10N2O3/c1-12-10-7(11)6-4-13-8(9-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyBRPHYSDISDLXAD-UHFFFAOYSA-N
XLogP0.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide (CID 131065219) is 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide is CONC(=O)c1coc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide?
The InChIKey is BRPHYSDISDLXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-12-10-7(11)6-4-13-8(9-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide?
2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide has a molecular weight of 182.18 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methoxy-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 131065219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).