(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

C21H23N3O2 — CID 135116928

IUPAC(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cc(C3CC3)on2)C[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C21H23N3O2/c25-20-13-24(12-17-10-21(26-23-17)14-5-6-14)11-16(20)9-15-7-8-22-19-4-2-1-3-18(15)19/h1-4,7-8,10,14,16,20,25H,5-6,9,11-13H2/t16-,20+/m1/s1
InChIKeyFOAFBSZDNXLZOR-UZLBHIALSA-N
MW349.43 g/mol
LogP3.14
Rot. Bonds5

About (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 135116928) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID135116928
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cc(C3CC3)on2)C[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C21H23N3O2/c25-20-13-24(12-17-10-21(26-23-17)14-5-6-14)11-16(20)9-15-7-8-22-19-4-2-1-3-18(15)19/h1-4,7-8,10,14,16,20,25H,5-6,9,11-13H2/t16-,20+/m1/s1
InChIKeyFOAFBSZDNXLZOR-UZLBHIALSA-N
XLogP3.14
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3S,4R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135098380
(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134708250
(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134697914
(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135090563
methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155501090
(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134712765
(3R,4R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711039
(3S,4R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711803
(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135109527
(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711012
(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134699713

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 135116928) is (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is O[C@H]1CN(Cc2cc(C3CC3)on2)C[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is FOAFBSZDNXLZOR-UZLBHIALSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20-13-24(12-17-10-21(26-23-17)14-5-6-14)11-16(20)9-15-7-8-22-19-4-2-1-3-18(15)19/h1-4,7-8,10,14,16,20,25H,5-6,9,11-13H2/t16-,20+/m1/s1.
What are the key properties of (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 349.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135116928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).