(4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole

C18H23NO — CID 70259708

IUPAC(4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC=CC1OC(c2ccccc2)=N[C@H]1CC1CCCCC1
InChIInChI=1S/C18H23NO/c1-2-17-16(13-14-9-5-3-6-10-14)19-18(20-17)15-11-7-4-8-12-15/h2,4,7-8,11-12,14,16-17H,1,3,5-6,9-10,13H2/t16-,17?/m0/s1
InChIKeyHENMAOSUBGGDQT-BHWOMJMDSA-N
MW269.39 g/mol
LogP4.36
Rot. Bonds4

About (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole

(4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 70259708) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID70259708
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC=CC1OC(c2ccccc2)=N[C@H]1CC1CCCCC1
InChIInChI=1S/C18H23NO/c1-2-17-16(13-14-9-5-3-6-10-14)19-18(20-17)15-11-7-4-8-12-15/h2,4,7-8,11-12,14,16-17H,1,3,5-6,9-10,13H2/t16-,17?/m0/s1
InChIKeyHENMAOSUBGGDQT-BHWOMJMDSA-N
XLogP4.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-(cyclohexylmethyl)-5-ethenyl-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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole (CID 70259708) is (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole is C=CC1OC(c2ccccc2)=N[C@H]1CC1CCCCC1.
What is the InChIKey of (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is HENMAOSUBGGDQT-BHWOMJMDSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-17-16(13-14-9-5-3-6-10-14)19-18(20-17)15-11-7-4-8-12-15/h2,4,7-8,11-12,14,16-17H,1,3,5-6,9-10,13H2/t16-,17?/m0/s1.
What are the key properties of (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 269.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(cyclohexylmethyl)-5-ethenyl-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70259708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).