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

C14H19N5O3 — CID 135102506

IUPAC(3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCOCc1noc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)n1
InChIInChI=1S/C14H19N5O3/c1-21-9-13-17-14(22-18-13)8-19-6-10(12(20)7-19)4-11-5-15-2-3-16-11/h2-3,5,10,12,20H,4,6-9H2,1H3/t10-,12-/m1/s1
InChIKeyBDVHGQPWYNHVSR-ZYHUDNBSSA-N
MW305.34 g/mol
LogP0.04
Rot. Bonds6

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

(3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 135102506) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is (3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID135102506
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name(3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCOCc1noc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)n1
InChIInChI=1S/C14H19N5O3/c1-21-9-13-17-14(22-18-13)8-19-6-10(12(20)7-19)4-11-5-15-2-3-16-11/h2-3,5,10,12,20H,4,6-9H2,1H3/t10-,12-/m1/s1
InChIKeyBDVHGQPWYNHVSR-ZYHUDNBSSA-N
XLogP0.04
TPSA97.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (CID 135102506) is (3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is COCc1noc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)n1.
What is the InChIKey of (3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is BDVHGQPWYNHVSR-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-21-9-13-17-14(22-18-13)8-19-6-10(12(20)7-19)4-11-5-15-2-3-16-11/h2-3,5,10,12,20H,4,6-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 305.34 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135102506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).