propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate

C18H25N5O3 — CID 133470363

IUPACpropan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCc1noc(C(C)N2CCN(c3ncccc3C(=O)OC(C)C)CC2)n1
InChIInChI=1S/C18H25N5O3/c1-12(2)25-18(24)15-6-5-7-19-16(15)23-10-8-22(9-11-23)13(3)17-20-14(4)21-26-17/h5-7,12-13H,8-11H2,1-4H3
InChIKeyLWEAXDPJJSYDLL-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.22
Rot. Bonds5

About propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 133470363) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID133470363
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Namepropan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCc1noc(C(C)N2CCN(c3ncccc3C(=O)OC(C)C)CC2)n1
InChIInChI=1S/C18H25N5O3/c1-12(2)25-18(24)15-6-5-7-19-16(15)23-10-8-22(9-11-23)13(3)17-20-14(4)21-26-17/h5-7,12-13H,8-11H2,1-4H3
InChIKeyLWEAXDPJJSYDLL-UHFFFAOYSA-N
XLogP2.22
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate 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

propan-2-yl 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470036
[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 35197509
propan-2-yl 2-[4-[(4-aminophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67324124
propan-2-yl 2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 133471016
propan-2-yl 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 53340242
propan-2-yl 2-[4-[[4-[(4-methoxyphenyl)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 159232746
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate
CID 95372072
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
propan-2-yl 2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469899
propan-2-yl 2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)pyridine-3-carboxylate
CID 75522944
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate (CID 133470363) is propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate is Cc1noc(C(C)N2CCN(c3ncccc3C(=O)OC(C)C)CC2)n1.
What is the InChIKey of propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is LWEAXDPJJSYDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(2)25-18(24)15-6-5-7-19-16(15)23-10-8-22(9-11-23)13(3)17-20-14(4)21-26-17/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 133470363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).