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

C13H14F3N3O2 — CID 136570448

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(C2CCOCC2)o1
InChIInChI=1S/C13H14F3N3O2/c1-19-9(6-11(18-19)13(14,15)16)10-7-17-12(21-10)8-2-4-20-5-3-8/h6-8H,2-5H2,1H3
InChIKeyCTWLUUIHOVLBDB-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.99
Rot. Bonds2

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

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole (PubChem CID 136570448) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole
PubChem CID136570448
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(C2CCOCC2)o1
InChIInChI=1S/C13H14F3N3O2/c1-19-9(6-11(18-19)13(14,15)16)10-7-17-12(21-10)8-2-4-20-5-3-8/h6-8H,2-5H2,1H3
InChIKeyCTWLUUIHOVLBDB-UHFFFAOYSA-N
XLogP2.99
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-(3-methyl-2-propan-2-ylimidazol-4-yl)-1,3-oxazole
CID 167878278
2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol
CID 178058442
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole
CID 91271091
4-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]cyclobutyl]methyl]morpholine
CID 123709283
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one
CID 137183406
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
CID 168907313
8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 126835418
1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole
CID 116861980
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfinyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 170143206
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole
CID 58200577
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole (CID 136570448) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole is Cn1nc(C(F)(F)F)cc1-c1cnc(C2CCOCC2)o1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole?
The InChIKey is CTWLUUIHOVLBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-19-9(6-11(18-19)13(14,15)16)10-7-17-12(21-10)8-2-4-20-5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole?
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole has a molecular weight of 301.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole is sourced from PubChem (CID 136570448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).