2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

C19H26N4O2 — CID 95331326

IUPAC2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1cccc([C@@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)c1
InChIInChI=1S/C19H26N4O2/c1-14(16-4-3-5-17(12-16)24-2)23-10-8-22(9-11-23)13-18-20-21-19(25-18)15-6-7-15/h3-5,12,14-15H,6-11,13H2,1-2H3/t14-/m1/s1
InChIKeyMSAWUUOXUIDHEX-CQSZACIVSA-N
MW342.44 g/mol
LogP2.83
Rot. Bonds6

About 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95331326) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95331326
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1cccc([C@@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)c1
InChIInChI=1S/C19H26N4O2/c1-14(16-4-3-5-17(12-16)24-2)23-10-8-22(9-11-23)13-18-20-21-19(25-18)15-6-7-15/h3-5,12,14-15H,6-11,13H2,1-2H3/t14-/m1/s1
InChIKeyMSAWUUOXUIDHEX-CQSZACIVSA-N
XLogP2.83
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 124885455
2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 95280329
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
1-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 124606516
1-[1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 122133686
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 122142087
(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553262
2-[(3S)-1-[(1R)-1-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,3-benzoxazole
CID 95786177
(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553263
2-[(3S)-1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,3-benzoxazole
CID 95786176
2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 47704652

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 95331326) is 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is COc1cccc([C@@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)c1.
What is the InChIKey of 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is MSAWUUOXUIDHEX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(16-4-3-5-17(12-16)24-2)23-10-8-22(9-11-23)13-18-20-21-19(25-18)15-6-7-15/h3-5,12,14-15H,6-11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 342.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95331326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).