(3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol

C19H24N2O5 — CID 95210615

IUPAC(3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCOc1cc(-c2nc(CN3CCC[C@@](C)(O)C3)c(C)o2)cc2c1OCO2
InChIInChI=1S/C19H24N2O5/c1-12-14(9-21-6-4-5-19(2,22)10-21)20-18(26-12)13-7-15(23-3)17-16(8-13)24-11-25-17/h7-8,22H,4-6,9-11H2,1-3H3/t19-/m1/s1
InChIKeyKCPNYIYUTPWFPG-LJQANCHMSA-N
MW360.41 g/mol
LogP2.73
Rot. Bonds4

About (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol

(3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol (PubChem CID 95210615) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
PubChem CID95210615
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCOc1cc(-c2nc(CN3CCC[C@@](C)(O)C3)c(C)o2)cc2c1OCO2
InChIInChI=1S/C19H24N2O5/c1-12-14(9-21-6-4-5-19(2,22)10-21)20-18(26-12)13-7-15(23-3)17-16(8-13)24-11-25-17/h7-8,22H,4-6,9-11H2,1-3H3/t19-/m1/s1
InChIKeyKCPNYIYUTPWFPG-LJQANCHMSA-N
XLogP2.73
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-ethyl-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95197835
[(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine
CID 95197021
3-[(2S)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 25304764
1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 56866509
1-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 31054643
(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
CID 95348668
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
2-(3,4-dimethoxyphenyl)-5-methyl-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 25460209
(3S)-1-[[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methylpiperidin-3-ol
CID 95893706
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol
CID 106785727
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 115874237
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728617

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The IUPAC name of (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol (CID 95210615) is (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol is COc1cc(-c2nc(CN3CCC[C@@](C)(O)C3)c(C)o2)cc2c1OCO2.
What is the InChIKey of (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The InChIKey is KCPNYIYUTPWFPG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-14(9-21-6-4-5-19(2,22)10-21)20-18(26-12)13-7-15(23-3)17-16(8-13)24-11-25-17/h7-8,22H,4-6,9-11H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
(3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol has a molecular weight of 360.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 95210615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).