1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C20H23FN6O2S — CID 91951992

IUPAC1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCCc1noc(-c2ccc(N3CCCC(C(=O)Nc4nnc(C)s4)C3)c(F)c2)n1
InChIInChI=1S/C20H23FN6O2S/c1-3-5-17-22-19(29-26-17)13-7-8-16(15(21)10-13)27-9-4-6-14(11-27)18(28)23-20-25-24-12(2)30-20/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,23,25,28)
InChIKeyYKYAUHHKLABZGW-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.84
Rot. Bonds6

About 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 91951992) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID91951992
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC Name1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCCc1noc(-c2ccc(N3CCCC(C(=O)Nc4nnc(C)s4)C3)c(F)c2)n1
InChIInChI=1S/C20H23FN6O2S/c1-3-5-17-22-19(29-26-17)13-7-8-16(15(21)10-13)27-9-4-6-14(11-27)18(28)23-20-25-24-12(2)30-20/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,23,25,28)
InChIKeyYKYAUHHKLABZGW-UHFFFAOYSA-N
XLogP3.84
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide 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

1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 91950746
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 7436330
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 91951972
(3R)-N-(2,4-difluorophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733350
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 95808037
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 91950743
3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone
CID 91951959
N-(3,5-dimethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814421
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-fluorophenyl]-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 91952024
(3R)-N-(4-bromophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733338
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 91951992) is 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CCCc1noc(-c2ccc(N3CCCC(C(=O)Nc4nnc(C)s4)C3)c(F)c2)n1.
What is the InChIKey of 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is YKYAUHHKLABZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c1-3-5-17-22-19(29-26-17)13-7-8-16(15(21)10-13)27-9-4-6-14(11-27)18(28)23-20-25-24-12(2)30-20/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,23,25,28).
What are the key properties of 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 91951992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).