4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol

C20H28N2O4 — CID 56864778

IUPAC4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol
SMILESCOc1ccc(-c2nc(CN3CCC(O)(CO)CC3)c(C)o2)c(C)c1C
InChIInChI=1S/C20H28N2O4/c1-13-14(2)18(25-4)6-5-16(13)19-21-17(15(3)26-19)11-22-9-7-20(24,12-23)8-10-22/h5-6,23-24H,7-12H2,1-4H3
InChIKeyGZHKOENRHDIRKH-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.59
Rot. Bonds5

About 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol

4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol (PubChem CID 56864778) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol
PubChem CID56864778
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol
SMILESCOc1ccc(-c2nc(CN3CCC(O)(CO)CC3)c(C)o2)c(C)c1C
InChIInChI=1S/C20H28N2O4/c1-13-14(2)18(25-4)6-5-16(13)19-21-17(15(3)26-19)11-22-9-7-20(24,12-23)8-10-22/h5-6,23-24H,7-12H2,1-4H3
InChIKeyGZHKOENRHDIRKH-UHFFFAOYSA-N
XLogP2.59
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

3-(5-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)-2-(propoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-8-yl)propanoic acid
CID 11317867
3-(5-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)-2-((prop-2-ynyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinolin-8-yl)propanoic acid
CID 44420565
3-(2-(Isobutoxycarbonyl)-5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)-1,2,3,4-tetrahydroisoquinolin-8-yl)propanoic acid
CID 44420566
1-Ethyl-4-{[{[2-(4-methoxy-1-naphthyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)amino]methyl}pyrrolidin-2-one
CID 16188450
1-{[2-(3,4-Dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-phenylpiperidine
CID 16191430
5-[(Isopropyl{[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}amino)methyl]pyrrolidin-2-one
CID 16191814
2-(3-Methoxyphenyl)-1-{[5-methyl-2-(5-methyl-2-furyl)-1,3-oxazol-4-yl]methyl}piperidine
CID 16192456
1-(3-Fluorobenzyl)-4-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine
CID 23723300
1-Benzyl-4-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazine
CID 23723314
4-[(1-{[2-(4-Ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-piperidinyl)carbonyl]morpholine
CID 24791392
2-[4-[[Furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid
CID 71459487
4-[2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]butanoic acid
CID 56598048

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol (CID 56864778) is 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol is COc1ccc(-c2nc(CN3CCC(O)(CO)CC3)c(C)o2)c(C)c1C.
What is the InChIKey of 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is GZHKOENRHDIRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-14(2)18(25-4)6-5-16(13)19-21-17(15(3)26-19)11-22-9-7-20(24,12-23)8-10-22/h5-6,23-24H,7-12H2,1-4H3.
What are the key properties of 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol?
4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 360.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 56864778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).