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

C21H28N4O — CID 45212571

IUPAC3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCC(N1CCN(Cc3nc(CC4CC4)no3)CC1)C2
InChIInChI=1S/C21H28N4O/c1-2-4-18-14-19(8-7-17(18)3-1)25-11-9-24(10-12-25)15-21-22-20(23-26-21)13-16-5-6-16/h1-4,16,19H,5-15H2
InChIKeyIFGPNICSHITZKL-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.70
Rot. Bonds5

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

3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 45212571) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID45212571
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCC(N1CCN(Cc3nc(CC4CC4)no3)CC1)C2
InChIInChI=1S/C21H28N4O/c1-2-4-18-14-19(8-7-17(18)3-1)25-11-9-24(10-12-25)15-21-22-20(23-26-21)13-16-5-6-16/h1-4,16,19H,5-15H2
InChIKeyIFGPNICSHITZKL-UHFFFAOYSA-N
XLogP2.70
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 29153501
3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 166250872
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 99954441
3-[2-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 99949576
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 95873122
3-(cyclopropylmethyl)-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45214637
2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol
CID 95868039
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72939419
3-[(1-methylpiperidin-4-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72861115
3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol
CID 25385068
5-[[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 155559084

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 45212571) is 3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is c1ccc2c(c1)CCC(N1CCN(Cc3nc(CC4CC4)no3)CC1)C2.
What is the InChIKey of 3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is IFGPNICSHITZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-4-18-14-19(8-7-17(18)3-1)25-11-9-24(10-12-25)15-21-22-20(23-26-21)13-16-5-6-16/h1-4,16,19H,5-15H2.
What are the key properties of 3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 352.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 45212571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).