(3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

C19H22N4O2 — CID 135109096

IUPAC(3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
SMILESCCc1nnc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)o1
InChIInChI=1S/C19H22N4O2/c1-2-18-21-22-19(25-18)12-23-10-14(17(24)11-23)9-15-8-7-13-5-3-4-6-16(13)20-15/h3-8,14,17,24H,2,9-12H2,1H3/t14-,17-/m1/s1
InChIKeyRSLLVFKMOSJPBP-RHSMWYFYSA-N
MW338.41 g/mol
LogP2.22
Rot. Bonds5

About (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 135109096) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID135109096
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
SMILESCCc1nnc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)o1
InChIInChI=1S/C19H22N4O2/c1-2-18-21-22-19(25-18)12-23-10-14(17(24)11-23)9-15-8-7-13-5-3-4-6-16(13)20-15/h3-8,14,17,24H,2,9-12H2,1H3/t14-,17-/m1/s1
InChIKeyRSLLVFKMOSJPBP-RHSMWYFYSA-N
XLogP2.22
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol (CID 135109096) is (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol is CCc1nnc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)o1.
What is the InChIKey of (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is RSLLVFKMOSJPBP-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-18-21-22-19(25-18)12-23-10-14(17(24)11-23)9-15-8-7-13-5-3-4-6-16(13)20-15/h3-8,14,17,24H,2,9-12H2,1H3/t14-,17-/m1/s1.
What are the key properties of (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 338.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135109096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).