methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde

C19H26N2O3 — CID 162740997

IUPACmethanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
SMILESCO.Cc1cccc(-c2nc(CN3CCC(C=O)CC3)c(C)o2)c1
InChIInChI=1S/C18H22N2O2.CH4O/c1-13-4-3-5-16(10-13)18-19-17(14(2)22-18)11-20-8-6-15(12-21)7-9-20;1-2/h3-5,10,12,15H,6-9,11H2,1-2H3;2H,1H3
InChIKeyHCBCTDYVRBHANH-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.98
Rot. Bonds4

About methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde

methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde (PubChem CID 162740997) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Namemethanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
PubChem CID162740997
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namemethanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
SMILESCO.Cc1cccc(-c2nc(CN3CCC(C=O)CC3)c(C)o2)c1
InChIInChI=1S/C18H22N2O2.CH4O/c1-13-4-3-5-16(10-13)18-19-17(14(2)22-18)11-20-8-6-15(12-21)7-9-20;1-2/h3-5,10,12,15H,6-9,11H2,1-2H3;2H,1H3
InChIKeyHCBCTDYVRBHANH-UHFFFAOYSA-N
XLogP2.98
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
N-cyclopropyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20860011
ethyl (3R)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 150258829
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
(3aR,7aR)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154811552
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
(3S,8aS)-3-methyl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165424792
[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 42567137
1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 20859872
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide
CID 70783626
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110630113

Frequently Asked Questions

What is the IUPAC name of methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde?
The IUPAC name of methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde (CID 162740997) is methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde?
The canonical SMILES for methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde is CO.Cc1cccc(-c2nc(CN3CCC(C=O)CC3)c(C)o2)c1.
What is the InChIKey of methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde?
The InChIKey is HCBCTDYVRBHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.CH4O/c1-13-4-3-5-16(10-13)18-19-17(14(2)22-18)11-20-8-6-15(12-21)7-9-20;1-2/h3-5,10,12,15H,6-9,11H2,1-2H3;2H,1H3.
What are the key properties of methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde?
methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde has a molecular weight of 330.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 162740997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).