N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide

C10H12N2O2 — CID 78970837

IUPACN-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide
SMILESC#CCN(CC)C(=O)c1cc(C)no1
InChIInChI=1S/C10H12N2O2/c1-4-6-12(5-2)10(13)9-7-8(3)11-14-9/h1,7H,5-6H2,2-3H3
InChIKeyVLMREZOGELELFS-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.08
Rot. Bonds3

About N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide

N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide (PubChem CID 78970837) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide
PubChem CID78970837
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide
SMILESC#CCN(CC)C(=O)c1cc(C)no1
InChIInChI=1S/C10H12N2O2/c1-4-6-12(5-2)10(13)9-7-8(3)11-14-9/h1,7H,5-6H2,2-3H3
InChIKeyVLMREZOGELELFS-UHFFFAOYSA-N
XLogP1.08
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide (CID 78970837) is N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide is C#CCN(CC)C(=O)c1cc(C)no1.
What is the InChIKey of N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide?
The InChIKey is VLMREZOGELELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-4-6-12(5-2)10(13)9-7-8(3)11-14-9/h1,7H,5-6H2,2-3H3.
What are the key properties of N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide?
N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-prop-2-ynyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 78970837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).