5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole

C22H26N2O2S — CID 45202868

IUPAC5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
SMILESCc1cccc(OCC2CCCN(Cc3nc(-c4ccsc4)oc3C)C2)c1
InChIInChI=1S/C22H26N2O2S/c1-16-5-3-7-20(11-16)25-14-18-6-4-9-24(12-18)13-21-17(2)26-22(23-21)19-8-10-27-15-19/h3,5,7-8,10-11,15,18H,4,6,9,12-14H2,1-2H3
InChIKeyQRTGOAHQJXNXEJ-UHFFFAOYSA-N
MW382.53 g/mol
LogP5.31
Rot. Bonds6

About 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole

5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole (PubChem CID 45202868) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
PubChem CID45202868
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
SMILESCc1cccc(OCC2CCCN(Cc3nc(-c4ccsc4)oc3C)C2)c1
InChIInChI=1S/C22H26N2O2S/c1-16-5-3-7-20(11-16)25-14-18-6-4-9-24(12-18)13-21-17(2)26-22(23-21)19-8-10-27-15-19/h3,5,7-8,10-11,15,18H,4,6,9,12-14H2,1-2H3
InChIKeyQRTGOAHQJXNXEJ-UHFFFAOYSA-N
XLogP5.31
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole with MolForge

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Related Compounds

5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 95341635
2-[[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95126453
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157
1-[(3-methylphenyl)methyl]-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 25458230
1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 29253890
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 45190964
1-[[(3R)-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 28685190
(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine
CID 95889064
ethyl (3R)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 150258829
N-cyclopropyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20860011
1-[[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 56760356

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole (CID 45202868) is 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole is Cc1cccc(OCC2CCCN(Cc3nc(-c4ccsc4)oc3C)C2)c1.
What is the InChIKey of 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole?
The InChIKey is QRTGOAHQJXNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-16-5-3-7-20(11-16)25-14-18-6-4-9-24(12-18)13-21-17(2)26-22(23-21)19-8-10-27-15-19/h3,5,7-8,10-11,15,18H,4,6,9,12-14H2,1-2H3.
What are the key properties of 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole?
5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole has a molecular weight of 382.53 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole is sourced from PubChem (CID 45202868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).