N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide

C7H10N2O3 — CID 79486908

IUPACN-ethoxy-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCONC(=O)c1ocnc1C
InChIInChI=1S/C7H10N2O3/c1-3-12-9-7(10)6-5(2)8-4-11-6/h4H,3H2,1-2H3,(H,9,10)
InChIKeyVFNHQSZUGTVKRG-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.66
Rot. Bonds3

About N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide

N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 79486908) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethoxy-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID79486908
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC NameN-ethoxy-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCONC(=O)c1ocnc1C
InChIInChI=1S/C7H10N2O3/c1-3-12-9-7(10)6-5(2)8-4-11-6/h4H,3H2,1-2H3,(H,9,10)
InChIKeyVFNHQSZUGTVKRG-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 83619478
4-methyl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
CID 110686212
N-ethoxy-1,3-oxazole-4-carboxamide
CID 130637813
N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106288404
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81361666
N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 81478804
4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid
CID 81362881
4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide
CID 104581007
N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106117620
potassium 4-methyl-1,3-oxazole-5-carboxylate
CID 46210407
N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106245346

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide (CID 79486908) is N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide is CCONC(=O)c1ocnc1C.
What is the InChIKey of N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is VFNHQSZUGTVKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-12-9-7(10)6-5(2)8-4-11-6/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide?
N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 170.17 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79486908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).