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

C14H17N3O4 — CID 107072214

IUPAC1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(Cc2noc(-c3ccco3)n2)C1C(=O)O
InChIInChI=1S/C14H17N3O4/c1-9-4-2-6-17(12(9)14(18)19)8-11-15-13(21-16-11)10-5-3-7-20-10/h3,5,7,9,12H,2,4,6,8H2,1H3,(H,18,19)
InChIKeyIWJDDLHKVQKMNP-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.01
Rot. Bonds4

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

1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072214) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107072214
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(Cc2noc(-c3ccco3)n2)C1C(=O)O
InChIInChI=1S/C14H17N3O4/c1-9-4-2-6-17(12(9)14(18)19)8-11-15-13(21-16-11)10-5-3-7-20-10/h3,5,7,9,12H,2,4,6,8H2,1H3,(H,18,19)
InChIKeyIWJDDLHKVQKMNP-UHFFFAOYSA-N
XLogP2.01
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 107072602
2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684294
[4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine
CID 103352935
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80706784
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147726
3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072051
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 75539105
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 63874829
5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65450165
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43441750
3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 107072167

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid (CID 107072214) is 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(Cc2noc(-c3ccco3)n2)C1C(=O)O.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is IWJDDLHKVQKMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-4-2-6-17(12(9)14(18)19)8-11-15-13(21-16-11)10-5-3-7-20-10/h3,5,7,9,12H,2,4,6,8H2,1H3,(H,18,19).
What are the key properties of 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid?
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).