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

C9H11F3N2O3 — CID 113351104

IUPACN-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-4-13-17-7(6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3
InChIKeyGIKBIHVHINWGFU-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.98
Rot. Bonds4

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

N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide (PubChem CID 113351104) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
PubChem CID113351104
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC NameN-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-4-13-17-7(6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3
InChIKeyGIKBIHVHINWGFU-UHFFFAOYSA-N
XLogP0.98
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-4-methyl-1,2-oxazole-5-carboxamide
CID 107482333
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-(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-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide (CID 113351104) is N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GIKBIHVHINWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-6-4-13-17-7(6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 252.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 113351104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).