N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide

C9H12F2N2O3 — CID 107482333

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H12F2N2O3/c1-6-4-12-16-8(6)9(15)13(2-3-14)5-7(10)11/h4,7,14H,2-3,5H2,1H3
InChIKeyCFBZWKMBDDMDMX-UHFFFAOYSA-N
MW234.20 g/mol
LogP0.68
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 107482333) has the molecular formula C9H12F2N2O3 and a molecular weight of 234.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID107482333
Molecular FormulaC9H12F2N2O3
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H12F2N2O3/c1-6-4-12-16-8(6)9(15)13(2-3-14)5-7(10)11/h4,7,14H,2-3,5H2,1H3
InChIKeyCFBZWKMBDDMDMX-UHFFFAOYSA-N
XLogP0.68
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-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

1-(4-Methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 66334789
2-[(4-Methyl-1,2-oxazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257715
2-[(5-Methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258050
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 79795993
4-methyl-N-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxamide
CID 81343681
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide
CID 103750166
N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103770285
N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 104857180
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 107482830
N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
CID 107483392
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
CID 113351104
N-(3-amino-2,2-difluoropropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114383762

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 107482333) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is CFBZWKMBDDMDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3/c1-6-4-12-16-8(6)9(15)13(2-3-14)5-7(10)11/h4,7,14H,2-3,5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 234.20 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 107482333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).