(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

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Related Compounds

(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
CID 134961820
trimethyl-[(1R,2S)-2-(1-phenylethenyl)cyclopropyl]silane
CID 99771502
ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
CID 102469883
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
4,4,6-trimethyl-2-(1-phenylethenyl)-5,6-dihydro-1,3-oxazine
CID 14810340
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
CID 11823541
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
CID 135011554
4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one
CID 45123172
1-(1-chloroethenyl)-4-(2-methylphenyl)benzene
CID 156825612
2-(2-methylphenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 83862354

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).