2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole

C19H17F3N2O2 — CID 162805835

IUPAC2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole
SMILESFC(F)(F)Oc1ccc(CN2CC[C@@H](c3nc4ccccc4o3)C2)cc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)26-15-7-5-13(6-8-15)11-24-10-9-14(12-24)18-23-16-3-1-2-4-17(16)25-18/h1-8,14H,9-12H2/t14-/m1/s1
InChIKeyQSZCNPIMKZCFCG-CQSZACIVSA-N
MW362.35 g/mol
LogP4.72
Rot. Bonds4

About 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole

2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole (PubChem CID 162805835) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole
PubChem CID162805835
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole
SMILESFC(F)(F)Oc1ccc(CN2CC[C@@H](c3nc4ccccc4o3)C2)cc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)26-15-7-5-13(6-8-15)11-24-10-9-14(12-24)18-23-16-3-1-2-4-17(16)25-18/h1-8,14H,9-12H2/t14-/m1/s1
InChIKeyQSZCNPIMKZCFCG-CQSZACIVSA-N
XLogP4.72
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 17409570
5-chloro-2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CID 75615042
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028
N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 95129574
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46402789
phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
5-ethylsulfonyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CID 75615140
2-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1,3,4-oxadiazole
CID 90057969
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole (CID 162805835) is 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole is FC(F)(F)Oc1ccc(CN2CC[C@@H](c3nc4ccccc4o3)C2)cc1.
What is the InChIKey of 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole?
The InChIKey is QSZCNPIMKZCFCG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)26-15-7-5-13(6-8-15)11-24-10-9-14(12-24)18-23-16-3-1-2-4-17(16)25-18/h1-8,14H,9-12H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole?
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole has a molecular weight of 362.35 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 162805835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).