1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde

C14H22N2O2 — CID 62655137

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde
SMILESCC(C)(C)c1cnc(CN2CCCC(C=O)C2)o1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12-7-15-13(18-12)9-16-6-4-5-11(8-16)10-17/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyBWYWFISIAWNXAC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds3

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde (PubChem CID 62655137) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde
PubChem CID62655137
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde
SMILESCC(C)(C)c1cnc(CN2CCCC(C=O)C2)o1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12-7-15-13(18-12)9-16-6-4-5-11(8-16)10-17/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyBWYWFISIAWNXAC-UHFFFAOYSA-N
XLogP2.38
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde (CID 62655137) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde is CC(C)(C)c1cnc(CN2CCCC(C=O)C2)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde?
The InChIKey is BWYWFISIAWNXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)12-7-15-13(18-12)9-16-6-4-5-11(8-16)10-17/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde has a molecular weight of 250.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 62655137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).