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

C19H22N4O3 — CID 135090563

IUPAC(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCOCc1noc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)n1
InChIInChI=1S/C19H22N4O3/c1-25-12-18-21-19(26-22-18)11-23-9-14(17(24)10-23)8-13-6-7-20-16-5-3-2-4-15(13)16/h2-7,14,17,24H,8-12H2,1H3/t14-,17+/m1/s1
InChIKeyXGCTXAZBKHFBEQ-PBHICJAKSA-N
MW354.41 g/mol
LogP1.80
Rot. Bonds6

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

(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 135090563) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID135090563
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCOCc1noc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)n1
InChIInChI=1S/C19H22N4O3/c1-25-12-18-21-19(26-22-18)11-23-9-14(17(24)10-23)8-13-6-7-20-16-5-3-2-4-15(13)16/h2-7,14,17,24H,8-12H2,1H3/t14-,17+/m1/s1
InChIKeyXGCTXAZBKHFBEQ-PBHICJAKSA-N
XLogP1.80
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
(3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135102506
(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135116928
(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134708250
methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400
(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134712765
(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134697914
(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135109527
(3S,4R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711803
(3R,4R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711039
(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-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 135090563) is (3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is COCc1noc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)n1.
What is the InChIKey of (3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is XGCTXAZBKHFBEQ-PBHICJAKSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-12-18-21-19(26-22-18)11-23-9-14(17(24)10-23)8-13-6-7-20-16-5-3-2-4-15(13)16/h2-7,14,17,24H,8-12H2,1H3/t14-,17+/m1/s1.
What are the key properties of (3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 354.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135090563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).