(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol

C17H22N2O2S — CID 95468992

IUPAC(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol
SMILESCSc1ccc(-c2nc(CN3CCC[C@@H](O)C3)c(C)o2)cc1
InChIInChI=1S/C17H22N2O2S/c1-12-16(11-19-9-3-4-14(20)10-19)18-17(21-12)13-5-7-15(22-2)8-6-13/h5-8,14,20H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyPPOLONGKMDZTHD-CQSZACIVSA-N
MW318.44 g/mol
LogP3.33
Rot. Bonds4

About (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol

(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol (PubChem CID 95468992) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol
PubChem CID95468992
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol
SMILESCSc1ccc(-c2nc(CN3CCC[C@@H](O)C3)c(C)o2)cc1
InChIInChI=1S/C17H22N2O2S/c1-12-16(11-19-9-3-4-14(20)10-19)18-17(21-12)13-5-7-15(22-2)8-6-13/h5-8,14,20H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyPPOLONGKMDZTHD-CQSZACIVSA-N
XLogP3.33
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56755911
[(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 133116636
N-methyl-2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56861117
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 56878040
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
(3R)-N,N-diethyl-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 42214496
[1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24792954
[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24791417
5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-2-(4-methylsulfanylphenyl)-1,3-oxazole
CID 95221363
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 42100915

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol (CID 95468992) is (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol is CSc1ccc(-c2nc(CN3CCC[C@@H](O)C3)c(C)o2)cc1.
What is the InChIKey of (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is PPOLONGKMDZTHD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-16(11-19-9-3-4-14(20)10-19)18-17(21-12)13-5-7-15(22-2)8-6-13/h5-8,14,20H,3-4,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 318.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 95468992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).