2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole

C20H30N2O — CID 174356612

IUPAC2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCN1CCC(Cc2ccc(C3=NCCO3)cc2)CC1
InChIInChI=1S/C20H30N2O/c1-2-3-4-12-22-13-9-18(10-14-22)16-17-5-7-19(8-6-17)20-21-11-15-23-20/h5-8,18H,2-4,9-16H2,1H3
InChIKeyOGJOXLZAOUVGMA-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.91
Rot. Bonds7

About 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole

2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 174356612) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID174356612
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCN1CCC(Cc2ccc(C3=NCCO3)cc2)CC1
InChIInChI=1S/C20H30N2O/c1-2-3-4-12-22-13-9-18(10-14-22)16-17-5-7-19(8-6-17)20-21-11-15-23-20/h5-8,18H,2-4,9-16H2,1H3
InChIKeyOGJOXLZAOUVGMA-UHFFFAOYSA-N
XLogP3.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole 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

2-(4-Methylphenyl)oxazoline
CID 3770227
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312
Crl 40897
CID 3024959
2-(4-Butylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519396
2-(4-Ethylphenyl)-4,5-dihydrooxazole
CID 66764190
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
2-(4-Cyclohexylphenyl)-2,4-dimethylmorpholine--hydrogen chloride (1/1)
CID 3066069
Morpholine, 2,4-dimethyl-2-(4-(2-methylpropyl)phenyl)-, hydrochloride
CID 3066077
2-(4-Pentylphenyl)-4,5-dihydro-1,3-oxazole
CID 127032080
2-(4-Hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519397
2-(4-Heptylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519398
2-(4-Octylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519399

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 174356612) is 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole is CCCCCN1CCC(Cc2ccc(C3=NCCO3)cc2)CC1.
What is the InChIKey of 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is OGJOXLZAOUVGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-3-4-12-22-13-9-18(10-14-22)16-17-5-7-19(8-6-17)20-21-11-15-23-20/h5-8,18H,2-4,9-16H2,1H3.
What are the key properties of 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 314.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-pentylpiperidin-4-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 174356612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).