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

C15H21N5O2 — CID 135090193

IUPAC(3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCC(C)c1nnc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)o1
InChIInChI=1S/C15H21N5O2/c1-10(2)15-19-18-14(22-15)9-20-7-11(13(21)8-20)5-12-6-16-3-4-17-12/h3-4,6,10-11,13,21H,5,7-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyYUUVVBQQBJOHPZ-DGCLKSJQSA-N
MW303.37 g/mol
LogP1.02
Rot. Bonds5

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

(3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 135090193) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID135090193
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCC(C)c1nnc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)o1
InChIInChI=1S/C15H21N5O2/c1-10(2)15-19-18-14(22-15)9-20-7-11(13(21)8-20)5-12-6-16-3-4-17-12/h3-4,6,10-11,13,21H,5,7-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyYUUVVBQQBJOHPZ-DGCLKSJQSA-N
XLogP1.02
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (CID 135090193) is (3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is CC(C)c1nnc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)o1.
What is the InChIKey of (3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is YUUVVBQQBJOHPZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(2)15-19-18-14(22-15)9-20-7-11(13(21)8-20)5-12-6-16-3-4-17-12/h3-4,6,10-11,13,21H,5,7-9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 303.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135090193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).