4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole

C16H17F3N2O — CID 151248829

IUPAC4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1c(-c2ccc(N3CCCCC3)cc2)noc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O/c1-11-14(20-22-15(11)16(17,18)19)12-5-7-13(8-6-12)21-9-3-2-4-10-21/h5-8H,2-4,9-10H2,1H3
InChIKeyNRWQGOVUYWVIIU-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.66
Rot. Bonds2

About 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole

4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 151248829) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole
PubChem CID151248829
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1c(-c2ccc(N3CCCCC3)cc2)noc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O/c1-11-14(20-22-15(11)16(17,18)19)12-5-7-13(8-6-12)21-9-3-2-4-10-21/h5-8H,2-4,9-10H2,1H3
InChIKeyNRWQGOVUYWVIIU-UHFFFAOYSA-N
XLogP4.66
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;cyclohexyl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone;2,2-dimethyl-1-[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;2,2-dimethyl-1-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]propan-1-one;[4-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanone
CID 158432938
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 71324632
[3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 50827918
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
(4-methylphenyl)-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120841626
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 136529623
1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687416
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
(4-methylphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827747
3-phenyl-N-(4-piperidin-1-ylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 163322934

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole (CID 151248829) is 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole is Cc1c(-c2ccc(N3CCCCC3)cc2)noc1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is NRWQGOVUYWVIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-11-14(20-22-15(11)16(17,18)19)12-5-7-13(8-6-12)21-9-3-2-4-10-21/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole?
4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 310.32 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 151248829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).