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

C16H17F3N2O5 — CID 162800240

IUPAC3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2noc(C(C)O)c2C(=O)NCC(F)(F)F)cc1OC
InChIInChI=1S/C16H17F3N2O5/c1-8(22)14-12(15(23)20-7-16(17,18)19)13(21-26-14)9-4-5-10(24-2)11(6-9)25-3/h4-6,8,22H,7H2,1-3H3,(H,20,23)
InChIKeySJLYPCAOYVQZRW-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.70
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (PubChem CID 162800240) has the molecular formula C16H17F3N2O5 and a molecular weight of 374.32 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
PubChem CID162800240
Molecular FormulaC16H17F3N2O5
Molecular Weight374.32 g/mol
Exact Mass374.11
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2noc(C(C)O)c2C(=O)NCC(F)(F)F)cc1OC
InChIInChI=1S/C16H17F3N2O5/c1-8(22)14-12(15(23)20-7-16(17,18)19)13(21-26-14)9-4-5-10(24-2)11(6-9)25-3/h4-6,8,22H,7H2,1-3H3,(H,20,23)
InChIKeySJLYPCAOYVQZRW-UHFFFAOYSA-N
XLogP2.70
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162793287
[3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
CID 162800374
[3-(3,4-dimethoxyphenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 124876165
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide
CID 162939070
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 18777968
3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
CID 100630633
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
2-bromo-1-[3-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 46741261
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
ethyl 5-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 25219814
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78933804

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (CID 162800240) is 3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is COc1ccc(-c2noc(C(C)O)c2C(=O)NCC(F)(F)F)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is SJLYPCAOYVQZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O5/c1-8(22)14-12(15(23)20-7-16(17,18)19)13(21-26-14)9-4-5-10(24-2)11(6-9)25-3/h4-6,8,22H,7H2,1-3H3,(H,20,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162800240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).