2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid

C17H21N3O4 — CID 138030433

IUPAC2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CN1CCC(c2nc(C3CCC3)no2)CC1
InChIInChI=1S/C17H21N3O4/c21-17(22)13-6-9-23-14(13)10-20-7-4-12(5-8-20)16-18-15(19-24-16)11-2-1-3-11/h6,9,11-12H,1-5,7-8,10H2,(H,21,22)
InChIKeyYCLSUPOEQCULGW-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.01
Rot. Bonds5

About 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid

2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid (PubChem CID 138030433) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid
PubChem CID138030433
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CN1CCC(c2nc(C3CCC3)no2)CC1
InChIInChI=1S/C17H21N3O4/c21-17(22)13-6-9-23-14(13)10-20-7-4-12(5-8-20)16-18-15(19-24-16)11-2-1-3-11/h6,9,11-12H,1-5,7-8,10H2,(H,21,22)
InChIKeyYCLSUPOEQCULGW-UHFFFAOYSA-N
XLogP3.01
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 43477735
2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477695
2-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 61397796
2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 136555512
2-[(4-propan-2-ylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 43585427
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetic acid
CID 56766304
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 91915215
5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 95780160
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 43628353
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid (CID 138030433) is 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CN1CCC(c2nc(C3CCC3)no2)CC1.
What is the InChIKey of 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid?
The InChIKey is YCLSUPOEQCULGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-17(22)13-6-9-23-14(13)10-20-7-4-12(5-8-20)16-18-15(19-24-16)11-2-1-3-11/h6,9,11-12H,1-5,7-8,10H2,(H,21,22).
What are the key properties of 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid?
2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 138030433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).