(4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole

C17H17NO — CID 101351250

IUPAC(4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H17NO/c1-2-15-18-16(13-9-5-3-6-10-13)17(19-15)14-11-7-4-8-12-14/h3-12,16-17H,2H2,1H3/t16-,17-/m0/s1
InChIKeyQDUHNIOIDQNAHM-IRXDYDNUSA-N
MW251.33 g/mol
LogP4.31
Rot. Bonds3

About (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole

(4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 101351250) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID101351250
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H17NO/c1-2-15-18-16(13-9-5-3-6-10-13)17(19-15)14-11-7-4-8-12-14/h3-12,16-17H,2H2,1H3/t16-,17-/m0/s1
InChIKeyQDUHNIOIDQNAHM-IRXDYDNUSA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-2-ethyl-4,5-diphenyl-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,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(4S,5S)-(-)-2-Ethyl-5-phenyl-2-oxazoline-4-methanol
CID 11041893
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
(S)-2-(3,5-Dimethyl-benzyloxy)-1-phenyl-ethylamine
CID 44308930
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 101351250) is (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole is CCC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is QDUHNIOIDQNAHM-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-15-18-16(13-9-5-3-6-10-13)17(19-15)14-11-7-4-8-12-14/h3-12,16-17H,2H2,1H3/t16-,17-/m0/s1.
What are the key properties of (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 251.33 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-ethyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101351250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).