2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole

C16H14F3N3O — CID 172720092

IUPAC2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole
SMILESCn1ncc(-c2ncco2)c1CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O/c1-22-14(13(10-21-22)15-20-8-9-23-15)7-4-11-2-5-12(6-3-11)16(17,18)19/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyGJUOSGQOYQIQJN-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.88
Rot. Bonds4

About 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole

2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole (PubChem CID 172720092) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole
PubChem CID172720092
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole
SMILESCn1ncc(-c2ncco2)c1CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O/c1-22-14(13(10-21-22)15-20-8-9-23-15)7-4-11-2-5-12(6-3-11)16(17,18)19/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyGJUOSGQOYQIQJN-UHFFFAOYSA-N
XLogP3.88
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2807799
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
2-[2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 148633925
3-[4-[(1-methyltetrazol-5-yl)methyl]phenyl]-5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazole
CID 71666339
4-amino-2-methyl-5-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 117127653
2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole
CID 122674195
2-[5-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-8-yl]-1,3-oxazole;hydrochloride
CID 172633402
N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine
CID 105424029
1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine
CID 105423890
2-[3-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol
CID 59054227
N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146540705
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 105423901

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole?
The IUPAC name of 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole (CID 172720092) is 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole is Cn1ncc(-c2ncco2)c1CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole?
The InChIKey is GJUOSGQOYQIQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-22-14(13(10-21-22)15-20-8-9-23-15)7-4-11-2-5-12(6-3-11)16(17,18)19/h2-3,5-6,8-10H,4,7H2,1H3.
What are the key properties of 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole?
2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole has a molecular weight of 321.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 172720092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).