2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde

C14H22N2O2 — CID 115083403

IUPAC2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
SMILESCC(C)N1CCCC(Cc2nc(CC=O)co2)C1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-6-3-4-12(9-16)8-14-15-13(5-7-17)10-18-14/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeyMCPRCSZYCBSQCG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.08
Rot. Bonds5

About 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde

2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde (PubChem CID 115083403) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
PubChem CID115083403
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
SMILESCC(C)N1CCCC(Cc2nc(CC=O)co2)C1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-6-3-4-12(9-16)8-14-15-13(5-7-17)10-18-14/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeyMCPRCSZYCBSQCG-UHFFFAOYSA-N
XLogP2.08
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115082481
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083475
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082349
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115082307
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082387
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazole-3-carbaldehyde
CID 115078505
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-5-carbaldehyde
CID 115091074
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115083401
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080444
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082483
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-oxazol-4-yl]acetaldehyde
CID 115084673
3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083507

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde?
The IUPAC name of 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde (CID 115083403) is 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde is CC(C)N1CCCC(Cc2nc(CC=O)co2)C1.
What is the InChIKey of 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde?
The InChIKey is MCPRCSZYCBSQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16-6-3-4-12(9-16)8-14-15-13(5-7-17)10-18-14/h7,10-12H,3-6,8-9H2,1-2H3.
What are the key properties of 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde?
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde has a molecular weight of 250.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde is sourced from PubChem (CID 115083403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).