N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide

C9H14N2O2 — CID 20868344

IUPACN,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)no1
InChIInChI=1S/C9H14N2O2/c1-4-11(5-2)9(12)8-6-7(3)10-13-8/h6H,4-5H2,1-3H3
InChIKeyVJHBSTACGXETFD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds3

About N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide

N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 20868344) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID20868344
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)no1
InChIInChI=1S/C9H14N2O2/c1-4-11(5-2)9(12)8-6-7(3)10-13-8/h6H,4-5H2,1-3H3
InChIKeyVJHBSTACGXETFD-UHFFFAOYSA-N
XLogP1.47
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide (CID 20868344) is N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide is CCN(CC)C(=O)c1cc(C)no1.
What is the InChIKey of N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is VJHBSTACGXETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-11(5-2)9(12)8-6-7(3)10-13-8/h6H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide?
N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20868344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).