4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole

C20H31NO2 — CID 142009009

IUPAC4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCOCC1COC(c2ccccc2)=N1
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-12-15-22-16-19-17-23-20(21-19)18-13-10-9-11-14-18/h9-11,13-14,19H,2-8,12,15-17H2,1H3
InChIKeyWLAQXBBVQWHJPM-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.99
Rot. Bonds12

About 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole

4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 142009009) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID142009009
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCOCC1COC(c2ccccc2)=N1
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-12-15-22-16-19-17-23-20(21-19)18-13-10-9-11-14-18/h9-11,13-14,19H,2-8,12,15-17H2,1H3
InChIKeyWLAQXBBVQWHJPM-UHFFFAOYSA-N
XLogP4.99
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(decoxymethyl)-2-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

(4R)-4-(octadecoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 10025678
(3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol
CID 69302465
N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide
CID 59968039
sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol
CID 159317676
1-[(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methoxy]decan-3-yl dodecanoate
CID 72533442
[(3R)-3-heptylhexadecoxy]methanethiol;(4R)-4-[[(3R)-3-heptylhexadecoxy]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 158477780
(4R)-4-(ethoxymethyl)-2-[2-[2-[(4R)-4-(ethoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101144353
(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 66998047
(4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
CID 71422736
(1S,2S)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecane-1,2-diol
CID 59097365
N-butyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-amine
CID 101213990
(E,1R)-1-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)hexadec-2-en-1-ol
CID 134881393

Frequently Asked Questions

What is the IUPAC name of 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 142009009) is 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole is CCCCCCCCCCOCC1COC(c2ccccc2)=N1.
What is the InChIKey of 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is WLAQXBBVQWHJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-12-15-22-16-19-17-23-20(21-19)18-13-10-9-11-14-18/h9-11,13-14,19H,2-8,12,15-17H2,1H3.
What are the key properties of 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 317.47 g/mol, XLogP of 4.99, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142009009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).