5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole

C18H31N3O2 — CID 94081831

IUPAC5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(CCO[C@@H]3CCCC[C@@H]3C)CC2)no1
InChIInChI=1S/C18H31N3O2/c1-15-5-3-4-6-18(15)22-12-11-20-7-9-21(10-8-20)14-17-13-16(2)23-19-17/h13,15,18H,3-12,14H2,1-2H3/t15-,18+/m0/s1
InChIKeyNCFINQQTAWJZEP-MAUKXSAKSA-N
MW321.46 g/mol
LogP2.70
Rot. Bonds6

About 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 94081831) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID94081831
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(CCO[C@@H]3CCCC[C@@H]3C)CC2)no1
InChIInChI=1S/C18H31N3O2/c1-15-5-3-4-6-18(15)22-12-11-20-7-9-21(10-8-20)14-17-13-16(2)23-19-17/h13,15,18H,3-12,14H2,1-2H3/t15-,18+/m0/s1
InChIKeyNCFINQQTAWJZEP-MAUKXSAKSA-N
XLogP2.70
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole 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

1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 95284863
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 94827999
N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8994128
3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 112796498
4-[4-[2-(2-methylcyclohexyl)oxyethyl]-1,4-diazepan-1-yl]benzonitrile
CID 55703346
(1S)-2-[4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]-1-phenylethanol
CID 100838911
3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55256260
5-methyl-3-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882517
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 51084464
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63849789

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole (CID 94081831) is 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(CCO[C@@H]3CCCC[C@@H]3C)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is NCFINQQTAWJZEP-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-15-5-3-4-6-18(15)22-12-11-20-7-9-21(10-8-20)14-17-13-16(2)23-19-17/h13,15,18H,3-12,14H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 321.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 94081831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).