3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

C14H25N3O — CID 115082255

IUPAC3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCCN1CCC(c2nc(CCCNC)co2)CC1
InChIInChI=1S/C14H25N3O/c1-3-17-9-6-12(7-10-17)14-16-13(11-18-14)5-4-8-15-2/h11-12,15H,3-10H2,1-2H3
InChIKeyNTMJFNRDCHRNCD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds6

About 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (PubChem CID 115082255) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
PubChem CID115082255
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCCN1CCC(c2nc(CCCNC)co2)CC1
InChIInChI=1S/C14H25N3O/c1-3-17-9-6-12(7-10-17)14-16-13(11-18-14)5-4-8-15-2/h11-12,15H,3-10H2,1-2H3
InChIKeyNTMJFNRDCHRNCD-UHFFFAOYSA-N
XLogP2.03
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082248
N-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082711
3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082861
2-cyclopropyl-4-propyl-1,3-oxazole
CID 89181319
2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115077042
1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanol
CID 115082141
N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082088
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082563
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115077179
N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084664
2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082192
1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082080

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (CID 115082255) is 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is CCN1CCC(c2nc(CCCNC)co2)CC1.
What is the InChIKey of 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is NTMJFNRDCHRNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-17-9-6-12(7-10-17)14-16-13(11-18-14)5-4-8-15-2/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 115082255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).