N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide

C9H11F3N2O3 — CID 103915428

IUPACN-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-7(17-5-13-6)8(16)14(2-3-15)4-9(10,11)12/h5,15H,2-4H2,1H3
InChIKeyNCXALGWNGOTWOG-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.98
Rot. Bonds4

About N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide

N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide (PubChem CID 103915428) 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)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide
PubChem CID103915428
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC NameN-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-7(17-5-13-6)8(16)14(2-3-15)4-9(10,11)12/h5,15H,2-4H2,1H3
InChIKeyNCXALGWNGOTWOG-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

4-Methyloxazole-5-carboxamide
CID 78581
5-Oxazolecarboxamide, N-acetyl-4-methyl-
CID 539390
5-(4-Methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201373
4-Methyl-5-t-butylcarboxamidooxazole
CID 20325314
(3R)-3,4,4-trimethyl-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-pyrrolidinol
CID 72864668
[4-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124051015
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 164636294
4-(Trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 57461805
[(2R)-3-carboxy-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 68743438
2-[2-(Dimethylamino)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
CID 176371232
4-methyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide
CID 81343772
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81621099

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide (CID 103915428) is N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is NCXALGWNGOTWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-6-7(17-5-13-6)8(16)14(2-3-15)4-9(10,11)12/h5,15H,2-4H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide?
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-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)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 103915428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).