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

C18H21F3N2O — CID 46366481

IUPAC5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCCc1cc(C2CCCN2Cc2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C18H21F3N2O/c1-2-4-15-11-16(22-24-15)17-5-3-10-23(17)12-13-6-8-14(9-7-13)18(19,20)21/h6-9,11,17H,2-5,10,12H2,1H3
InChIKeyOSMKLDIBKPKJNF-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.98
Rot. Bonds5

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

5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 46366481) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID46366481
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCCc1cc(C2CCCN2Cc2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C18H21F3N2O/c1-2-4-15-11-16(22-24-15)17-5-3-10-23(17)12-13-6-8-14(9-7-13)18(19,20)21/h6-9,11,17H,2-5,10,12H2,1H3
InChIKeyOSMKLDIBKPKJNF-UHFFFAOYSA-N
XLogP4.98
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92503010
3-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92732080
3-[1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809513
3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92502965
3-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809446
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809492
3-[1-[(2-bromophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809530
2-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]pyrazine
CID 124971747
3-[(2S)-1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92732280
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809397
(2S)-N-[(4-fluorophenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056305
4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 92621431

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 46366481) is 5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole is CCCc1cc(C2CCCN2Cc2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is OSMKLDIBKPKJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-2-4-15-11-16(22-24-15)17-5-3-10-23(17)12-13-6-8-14(9-7-13)18(19,20)21/h6-9,11,17H,2-5,10,12H2,1H3.
What are the key properties of 5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 338.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 46366481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).