(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol

C14H16BrN3O2 — CID 169101326

IUPAC(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
SMILESCc1c(Br)cccc1-c1nnc(CN2CC[C@@H](O)C2)o1
InChIInChI=1S/C14H16BrN3O2/c1-9-11(3-2-4-12(9)15)14-17-16-13(20-14)8-18-6-5-10(19)7-18/h2-4,10,19H,5-8H2,1H3/t10-/m1/s1
InChIKeyVIQIVSFVKSPGDM-SNVBAGLBSA-N
MW338.21 g/mol
LogP2.37
Rot. Bonds3

About (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 169101326) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
PubChem CID169101326
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
SMILESCc1c(Br)cccc1-c1nnc(CN2CC[C@@H](O)C2)o1
InChIInChI=1S/C14H16BrN3O2/c1-9-11(3-2-4-12(9)15)14-17-16-13(20-14)8-18-6-5-10(19)7-18/h2-4,10,19H,5-8H2,1H3/t10-/m1/s1
InChIKeyVIQIVSFVKSPGDM-SNVBAGLBSA-N
XLogP2.37
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669569
(3S)-1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123204
(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 78993305
1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 156787032
(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111462016
1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 47473957
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
2-(2-bromophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449579
(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111334084
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669557
4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898257
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol (CID 169101326) is (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol is Cc1c(Br)cccc1-c1nnc(CN2CC[C@@H](O)C2)o1.
What is the InChIKey of (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is VIQIVSFVKSPGDM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-11(3-2-4-12(9)15)14-17-16-13(20-14)8-18-6-5-10(19)7-18/h2-4,10,19H,5-8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 338.21 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 169101326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).