3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C17H26N6O2 — CID 95278685

IUPAC3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(C)c1nc(CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)no1
InChIInChI=1S/C17H26N6O2/c1-11(2)16-18-14(20-24-16)10-22-6-8-23(9-7-22)12(3)17-19-15(21-25-17)13-4-5-13/h11-13H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyIAOOPYHSLKUSKH-LBPRGKRZSA-N
MW346.44 g/mol
LogP2.33
Rot. Bonds6

About 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95278685) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95278685
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(C)c1nc(CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)no1
InChIInChI=1S/C17H26N6O2/c1-11(2)16-18-14(20-24-16)10-22-6-8-23(9-7-22)12(3)17-19-15(21-25-17)13-4-5-13/h11-13H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyIAOOPYHSLKUSKH-LBPRGKRZSA-N
XLogP2.33
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[(1R)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278660
3-cyclopropyl-5-[(1S)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95156803
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
3-cyclopropyl-5-[(1S)-1-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95309191
3-cyclopropyl-5-[(1R)-1-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95309192
5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 51086696
3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053117
3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 95284690
[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909578
(2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95312285
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94189858

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95278685) is 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CC(C)c1nc(CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is IAOOPYHSLKUSKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(2)16-18-14(20-24-16)10-22-6-8-23(9-7-22)12(3)17-19-15(21-25-17)13-4-5-13/h11-13H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 346.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95278685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).