N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene

C25H38N2O2 — CID 143406559

IUPACN-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene
SMILESC=CC.C=CCC(c1ncc(CN(C)Cc2ccccc2)o1)C1CCCC1.CO
InChIInChI=1S/C21H28N2O.C3H6.CH4O/c1-3-9-20(18-12-7-8-13-18)21-22-14-19(24-21)16-23(2)15-17-10-5-4-6-11-17;1-3-2;1-2/h3-6,10-11,14,18,20H,1,7-9,12-13,15-16H2,2H3;3H,1H2,2H3;2H,1H3
InChIKeyIWGDBSGDTDLVFG-UHFFFAOYSA-N
MW398.59 g/mol
LogP5.96
Rot. Bonds8

About N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene

N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene (PubChem CID 143406559) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene.

Molecular Properties

Compound NameN-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene
PubChem CID143406559
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC NameN-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene
SMILESC=CC.C=CCC(c1ncc(CN(C)Cc2ccccc2)o1)C1CCCC1.CO
InChIInChI=1S/C21H28N2O.C3H6.CH4O/c1-3-9-20(18-12-7-8-13-18)21-22-14-19(24-21)16-23(2)15-17-10-5-4-6-11-17;1-3-2;1-2/h3-6,10-11,14,18,20H,1,7-9,12-13,15-16H2,2H3;3H,1H2,2H3;2H,1H3
InChIKeyIWGDBSGDTDLVFG-UHFFFAOYSA-N
XLogP5.96
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene?
The IUPAC name of N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene (CID 143406559) is N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene.
What is the SMILES notation for N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene?
The canonical SMILES for N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene is C=CC.C=CCC(c1ncc(CN(C)Cc2ccccc2)o1)C1CCCC1.CO.
What is the InChIKey of N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene?
The InChIKey is IWGDBSGDTDLVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.C3H6.CH4O/c1-3-9-20(18-12-7-8-13-18)21-22-14-19(24-21)16-23(2)15-17-10-5-4-6-11-17;1-3-2;1-2/h3-6,10-11,14,18,20H,1,7-9,12-13,15-16H2,2H3;3H,1H2,2H3;2H,1H3.
What are the key properties of N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene?
N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene has a molecular weight of 398.59 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene is sourced from PubChem (CID 143406559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).