5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide

C19H21F3N2O4 — CID 118554973

IUPAC5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(C(O)Cc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C19H21F3N2O4/c20-19(21,22)14-3-1-2-13(8-14)9-16(25)17-10-15(24-28-17)18(26)23-11-12-4-6-27-7-5-12/h1-3,8,10,12,16,25H,4-7,9,11H2,(H,23,26)
InChIKeyUQFXDCZMTPSYQD-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.13
Rot. Bonds6

About 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide

5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118554973) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID118554973
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(C(O)Cc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C19H21F3N2O4/c20-19(21,22)14-3-1-2-13(8-14)9-16(25)17-10-15(24-28-17)18(26)23-11-12-4-6-27-7-5-12/h1-3,8,10,12,16,25H,4-7,9,11H2,(H,23,26)
InChIKeyUQFXDCZMTPSYQD-UHFFFAOYSA-N
XLogP3.13
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42360109
3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369661
N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
CID 90326189
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 102602799
N-(1,4-dioxan-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 45178795
N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide
CID 162546389
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536681
5-(benzylsulfanylmethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326219
1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 95339702
N-[(1-phenylpiperidin-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70788463

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 118554973) is 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOCC1)c1cc(C(O)Cc2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UQFXDCZMTPSYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c20-19(21,22)14-3-1-2-13(8-14)9-16(25)17-10-15(24-28-17)18(26)23-11-12-4-6-27-7-5-12/h1-3,8,10,12,16,25H,4-7,9,11H2,(H,23,26).
What are the key properties of 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118554973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).