N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide

C9H14N2O4 — CID 167255120

IUPACN-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCOC(CNC(=O)c1coc(C)n1)OC
InChIInChI=1S/C9H14N2O4/c1-6-11-7(5-15-6)9(12)10-4-8(13-2)14-3/h5,8H,4H2,1-3H3,(H,10,12)
InChIKeySXGJAQHFCWLOFM-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.33
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide

N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 167255120) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID167255120
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC NameN-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCOC(CNC(=O)c1coc(C)n1)OC
InChIInChI=1S/C9H14N2O4/c1-6-11-7(5-15-6)9(12)10-4-8(13-2)14-3/h5,8H,4H2,1-3H3,(H,10,12)
InChIKeySXGJAQHFCWLOFM-UHFFFAOYSA-N
XLogP0.33
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-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-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209358
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 102561976
N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide
CID 15441221
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 138993157
N-(2,2-dimethoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463239
N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209353
2,2-dimethoxyethylcarbamic acid
CID 18938836
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464297
ethane;2-methyl-1,3-oxazole-4-carboxylic acid
CID 144678746
2-methyl-1,3-oxazole-4-carboxamide
CID 10796748

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide (CID 167255120) is N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide is COC(CNC(=O)c1coc(C)n1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is SXGJAQHFCWLOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6-11-7(5-15-6)9(12)10-4-8(13-2)14-3/h5,8H,4H2,1-3H3,(H,10,12).
What are the key properties of N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide?
N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 214.22 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167255120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).