N-propan-2-yloxy-1,2-oxazole-3-carboxamide

C7H10N2O3 — CID 130688341

IUPACN-propan-2-yloxy-1,2-oxazole-3-carboxamide
SMILESCC(C)ONC(=O)c1ccon1
InChIInChI=1S/C7H10N2O3/c1-5(2)12-9-7(10)6-3-4-11-8-6/h3-5H,1-2H3,(H,9,10)
InChIKeyAZQREOYRLFXYDW-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.74
Rot. Bonds3

About N-propan-2-yloxy-1,2-oxazole-3-carboxamide

N-propan-2-yloxy-1,2-oxazole-3-carboxamide (PubChem CID 130688341) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-propan-2-yloxy-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yloxy-1,2-oxazole-3-carboxamide
PubChem CID130688341
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC NameN-propan-2-yloxy-1,2-oxazole-3-carboxamide
SMILESCC(C)ONC(=O)c1ccon1
InChIInChI=1S/C7H10N2O3/c1-5(2)12-9-7(10)6-3-4-11-8-6/h3-5H,1-2H3,(H,9,10)
InChIKeyAZQREOYRLFXYDW-UHFFFAOYSA-N
XLogP0.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.74
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 N-propan-2-yloxy-1,2-oxazole-3-carboxamide?
The IUPAC name of N-propan-2-yloxy-1,2-oxazole-3-carboxamide (CID 130688341) is N-propan-2-yloxy-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-propan-2-yloxy-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-propan-2-yloxy-1,2-oxazole-3-carboxamide is CC(C)ONC(=O)c1ccon1.
What is the InChIKey of N-propan-2-yloxy-1,2-oxazole-3-carboxamide?
The InChIKey is AZQREOYRLFXYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(2)12-9-7(10)6-3-4-11-8-6/h3-5H,1-2H3,(H,9,10).
What are the key properties of N-propan-2-yloxy-1,2-oxazole-3-carboxamide?
N-propan-2-yloxy-1,2-oxazole-3-carboxamide has a molecular weight of 170.17 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxy-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130688341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).