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

C7H10N2O3 — CID 45099364

IUPACN-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide
SMILESCON(C)C(=O)c1conc1C
InChIInChI=1S/C7H10N2O3/c1-5-6(4-12-8-5)7(10)9(2)11-3/h4H,1-3H3
InChIKeySPZHQGSPQXWARI-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.62
Rot. Bonds2

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

N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 45099364) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID45099364
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC NameN-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide
SMILESCON(C)C(=O)c1conc1C
InChIInChI=1S/C7H10N2O3/c1-5-6(4-12-8-5)7(10)9(2)11-3/h4H,1-3H3
InChIKeySPZHQGSPQXWARI-UHFFFAOYSA-N
XLogP0.62
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.62
H-Bond Donors ≤ 50
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-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide (CID 45099364) is N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide is CON(C)C(=O)c1conc1C.
What is the InChIKey of N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is SPZHQGSPQXWARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-6(4-12-8-5)7(10)9(2)11-3/h4H,1-3H3.
What are the key properties of N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide?
N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 170.17 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 45099364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).