1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C17H18N4O4 — CID 74506880

IUPAC1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESOCc1ccc(CN2CC(O)CC2c2nc(-c3cccnc3)no2)o1
InChIInChI=1S/C17H18N4O4/c22-10-14-4-3-13(24-14)9-21-8-12(23)6-15(21)17-19-16(20-25-17)11-2-1-5-18-7-11/h1-5,7,12,15,22-23H,6,8-10H2
InChIKeyXDRBBILVLHIRKA-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.52
Rot. Bonds5

About 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 74506880) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID74506880
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESOCc1ccc(CN2CC(O)CC2c2nc(-c3cccnc3)no2)o1
InChIInChI=1S/C17H18N4O4/c22-10-14-4-3-13(24-14)9-21-8-12(23)6-15(21)17-19-16(20-25-17)11-2-1-5-18-7-11/h1-5,7,12,15,22-23H,6,8-10H2
InChIKeyXDRBBILVLHIRKA-UHFFFAOYSA-N
XLogP1.52
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(pyridin-4-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506891
1-(1-benzofuran-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506900
(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743994
N-hydroxy-3-[5-[4-hydroxy-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide
CID 163157206
1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506877
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 26744162
1-(pyridin-3-ylmethyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506679
1-[(2-hydroxyphenyl)methyl]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506843
(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743556
(3R,5S)-1-(cyclopropylmethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743592
1-benzyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74507208
1-[(4-methoxyphenyl)methyl]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506824

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 74506880) is 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is OCc1ccc(CN2CC(O)CC2c2nc(-c3cccnc3)no2)o1.
What is the InChIKey of 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is XDRBBILVLHIRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-10-14-4-3-13(24-14)9-21-8-12(23)6-15(21)17-19-16(20-25-17)11-2-1-5-18-7-11/h1-5,7,12,15,22-23H,6,8-10H2.
What are the key properties of 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 342.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 74506880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).