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

C20H22N4O3 — CID 95891551

IUPAC(3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCOCc1noc(-c2ccc(N3CC[C@@](O)(c4ccccc4C)C3)nc2)n1
InChIInChI=1S/C20H22N4O3/c1-14-5-3-4-6-16(14)20(25)9-10-24(13-20)18-8-7-15(11-21-18)19-22-17(12-26-2)23-27-19/h3-8,11,25H,9-10,12-13H2,1-2H3/t20-/m0/s1
InChIKeyVBEMLSPDWRNNSA-FQEVSTJZSA-N
MW366.42 g/mol
LogP2.68
Rot. Bonds5

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

(3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol (PubChem CID 95891551) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol
PubChem CID95891551
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCOCc1noc(-c2ccc(N3CC[C@@](O)(c4ccccc4C)C3)nc2)n1
InChIInChI=1S/C20H22N4O3/c1-14-5-3-4-6-16(14)20(25)9-10-24(13-20)18-8-7-15(11-21-18)19-22-17(12-26-2)23-27-19/h3-8,11,25H,9-10,12-13H2,1-2H3/t20-/m0/s1
InChIKeyVBEMLSPDWRNNSA-FQEVSTJZSA-N
XLogP2.68
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol (CID 95891551) is (3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol is COCc1noc(-c2ccc(N3CC[C@@](O)(c4ccccc4C)C3)nc2)n1.
What is the InChIKey of (3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol?
The InChIKey is VBEMLSPDWRNNSA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-5-3-4-6-16(14)20(25)9-10-24(13-20)18-8-7-15(11-21-18)19-22-17(12-26-2)23-27-19/h3-8,11,25H,9-10,12-13H2,1-2H3/t20-/m0/s1.
What are the key properties of (3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol?
(3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol has a molecular weight of 366.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 95891551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).