(3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol

C15H22N4O3 — CID 56901365

IUPAC(3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol
SMILESCc1ccc(-c2nnc(CN3CC[C@H](CO)[C@@H](O)C3)o2)n1C
InChIInChI=1S/C15H22N4O3/c1-10-3-4-12(18(10)2)15-17-16-14(22-15)8-19-6-5-11(9-20)13(21)7-19/h3-4,11,13,20-21H,5-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyGKQORPNMYVZRIL-YPMHNXCESA-N
MW306.37 g/mol
LogP0.56
Rot. Bonds4

About (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol

(3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 56901365) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol
PubChem CID56901365
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol
SMILESCc1ccc(-c2nnc(CN3CC[C@H](CO)[C@@H](O)C3)o2)n1C
InChIInChI=1S/C15H22N4O3/c1-10-3-4-12(18(10)2)15-17-16-14(22-15)8-19-6-5-11(9-20)13(21)7-19/h3-4,11,13,20-21H,5-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyGKQORPNMYVZRIL-YPMHNXCESA-N
XLogP0.56
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol (CID 56901365) is (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol is Cc1ccc(-c2nnc(CN3CC[C@H](CO)[C@@H](O)C3)o2)n1C.
What is the InChIKey of (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is GKQORPNMYVZRIL-YPMHNXCESA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-3-4-12(18(10)2)15-17-16-14(22-15)8-19-6-5-11(9-20)13(21)7-19/h3-4,11,13,20-21H,5-9H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol?
(3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 306.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56901365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).