3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

C25H30N4O — CID 29153501

IUPAC3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(CCc2noc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)cc1
InChIInChI=1S/C25H30N4O/c1-2-6-20(7-3-1)10-13-24-26-25(30-27-24)19-28-14-16-29(17-15-28)23-12-11-21-8-4-5-9-22(21)18-23/h1-9,23H,10-19H2/t23-/m1/s1
InChIKeyRBCYSMKKPFYTLJ-HSZRJFAPSA-N
MW402.54 g/mol
LogP3.53
Rot. Bonds6

About 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 29153501) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID29153501
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(CCc2noc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)cc1
InChIInChI=1S/C25H30N4O/c1-2-6-20(7-3-1)10-13-24-26-25(30-27-24)19-28-14-16-29(17-15-28)23-12-11-21-8-4-5-9-22(21)18-23/h1-9,23H,10-19H2/t23-/m1/s1
InChIKeyRBCYSMKKPFYTLJ-HSZRJFAPSA-N
XLogP3.53
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45212571
2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 25373315
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 95873122
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72939419
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 99954441
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
3-benzyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 35101653
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine
CID 79874615
2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol
CID 95868039
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 61384973
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 29153501) is 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is c1ccc(CCc2noc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)cc1.
What is the InChIKey of 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is RBCYSMKKPFYTLJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-6-20(7-3-1)10-13-24-26-25(30-27-24)19-28-14-16-29(17-15-28)23-12-11-21-8-4-5-9-22(21)18-23/h1-9,23H,10-19H2/t23-/m1/s1.
What are the key properties of 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 402.54 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 29153501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).