5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole

C17H22N2O3S — CID 150471436

IUPAC5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole
SMILESCc1ocnc1CS(=O)(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-14-17(18-13-22-14)12-23(20,21)16-7-5-15(6-8-16)11-19-9-3-2-4-10-19/h5-8,13H,2-4,9-12H2,1H3
InChIKeyHRWMYNDZDIDRNN-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.94
Rot. Bonds5

About 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole

5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole (PubChem CID 150471436) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole
PubChem CID150471436
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole
SMILESCc1ocnc1CS(=O)(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-14-17(18-13-22-14)12-23(20,21)16-7-5-15(6-8-16)11-19-9-3-2-4-10-19/h5-8,13H,2-4,9-12H2,1H3
InChIKeyHRWMYNDZDIDRNN-UHFFFAOYSA-N
XLogP2.94
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-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-[(4-methylphenyl)methyl]azepane
CID 3951815
(5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride
CID 138991355
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
CID 159283548
(3S)-1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 107225975
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
1-piperidin-1-ylsulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 78843482
2-[4-(piperidin-1-ylmethyl)phenyl]propan-2-ol
CID 82166020
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole (CID 150471436) is 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole is Cc1ocnc1CS(=O)(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole?
The InChIKey is HRWMYNDZDIDRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-14-17(18-13-22-14)12-23(20,21)16-7-5-15(6-8-16)11-19-9-3-2-4-10-19/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole?
5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole has a molecular weight of 334.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(piperidin-1-ylmethyl)phenyl]sulfonylmethyl]-1,3-oxazole is sourced from PubChem (CID 150471436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).