(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol

C17H18N4O2 — CID 128968818

IUPAC(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol
SMILESCc1noc([C@H]2C[C@@H](O)CN2Cc2cccc3cccnc23)n1
InChIInChI=1S/C17H18N4O2/c1-11-19-17(23-20-11)15-8-14(22)10-21(15)9-13-5-2-4-12-6-3-7-18-16(12)13/h2-7,14-15,22H,8-10H2,1H3/t14-,15-/m1/s1
InChIKeyLTLOOVWPUUEPKS-HUUCEWRRSA-N
MW310.36 g/mol
LogP2.23
Rot. Bonds3

About (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol

(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol (PubChem CID 128968818) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol
PubChem CID128968818
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol
SMILESCc1noc([C@H]2C[C@@H](O)CN2Cc2cccc3cccnc23)n1
InChIInChI=1S/C17H18N4O2/c1-11-19-17(23-20-11)15-8-14(22)10-21(15)9-13-5-2-4-12-6-3-7-18-16(12)13/h2-7,14-15,22H,8-10H2,1H3/t14-,15-/m1/s1
InChIKeyLTLOOVWPUUEPKS-HUUCEWRRSA-N
XLogP2.23
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-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

Related Compounds

(3R,5R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128970849
(3R,5R)-1-[(2,5-dimethylfuran-3-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128968145
(3R,5R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128968551
1-[(2-hydroxyphenyl)methyl]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506843
(3R,5S)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 26743854
(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol
CID 129331753
(3R,5R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128966998
(3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128974083
(3S,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 120858022
1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506629
3-(2-methylphenyl)-5-[(3S)-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830078
1-[(4-fluorophenyl)methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506631

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol (CID 128968818) is (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol is Cc1noc([C@H]2C[C@@H](O)CN2Cc2cccc3cccnc23)n1.
What is the InChIKey of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol?
The InChIKey is LTLOOVWPUUEPKS-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-19-17(23-20-11)15-8-14(22)10-21(15)9-13-5-2-4-12-6-3-7-18-16(12)13/h2-7,14-15,22H,8-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol?
(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol has a molecular weight of 310.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 128968818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).