(5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole

C18H17NO — CID 134961816

IUPAC(5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole
SMILESC=C(c1ccccc1)[C@H]1CN=C(c2ccccc2C)O1
InChIInChI=1S/C18H17NO/c1-13-8-6-7-11-16(13)18-19-12-17(20-18)14(2)15-9-4-3-5-10-15/h3-11,17H,2,12H2,1H3/t17-/m1/s1
InChIKeyCLQJTRARKBYXDH-QGZVFWFLSA-N
MW263.34 g/mol
LogP3.85
Rot. Bonds3

About (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole

(5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 134961816) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole
PubChem CID134961816
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole
SMILESC=C(c1ccccc1)[C@H]1CN=C(c2ccccc2C)O1
InChIInChI=1S/C18H17NO/c1-13-8-6-7-11-16(13)18-19-12-17(20-18)14(2)15-9-4-3-5-10-15/h3-11,17H,2,12H2,1H3/t17-/m1/s1
InChIKeyCLQJTRARKBYXDH-QGZVFWFLSA-N
XLogP3.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-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 (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole (CID 134961816) is (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole is C=C(c1ccccc1)[C@H]1CN=C(c2ccccc2C)O1.
What is the InChIKey of (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CLQJTRARKBYXDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17NO/c1-13-8-6-7-11-16(13)18-19-12-17(20-18)14(2)15-9-4-3-5-10-15/h3-11,17H,2,12H2,1H3/t17-/m1/s1.
What are the key properties of (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole?
(5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 263.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134961816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).