1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone

C19H17NO2 — CID 139191028

IUPAC1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone
SMILESC=C(c1ccc(C(C)=O)cc1)[C@H]1CN=C(c2ccccc2)O1
InChIInChI=1S/C19H17NO2/c1-13(15-8-10-16(11-9-15)14(2)21)18-12-20-19(22-18)17-6-4-3-5-7-17/h3-11,18H,1,12H2,2H3/t18-/m1/s1
InChIKeyLICFBVVRKURXHH-GOSISDBHSA-N
MW291.35 g/mol
LogP3.75
Rot. Bonds4

About 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone

1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone (PubChem CID 139191028) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone
PubChem CID139191028
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone
SMILESC=C(c1ccc(C(C)=O)cc1)[C@H]1CN=C(c2ccccc2)O1
InChIInChI=1S/C19H17NO2/c1-13(15-8-10-16(11-9-15)14(2)21)18-12-20-19(22-18)17-6-4-3-5-7-17/h3-11,18H,1,12H2,2H3/t18-/m1/s1
InChIKeyLICFBVVRKURXHH-GOSISDBHSA-N
XLogP3.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanone
CID 384079
(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone
CID 382481
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methyl 4-tert-butylbenzoate
CID 2732889
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
1-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one
CID 10799530
Methyl 4-[5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzoate
CID 134960292
4-[5-(Fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
CID 154715179
3-Methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
CID 2806512
(2-Amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)(4-methylphenyl)methanone
CID 6456490
Methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
CID 25138489
Methyl 4-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate
CID 101417790
Methyl 4-(4,5-dihydrooxazol-2-yl)benzoate
CID 10703416

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone (CID 139191028) is 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone is C=C(c1ccc(C(C)=O)cc1)[C@H]1CN=C(c2ccccc2)O1.
What is the InChIKey of 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone?
The InChIKey is LICFBVVRKURXHH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13(15-8-10-16(11-9-15)14(2)21)18-12-20-19(22-18)17-6-4-3-5-7-17/h3-11,18H,1,12H2,2H3/t18-/m1/s1.
What are the key properties of 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone?
1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone is sourced from PubChem (CID 139191028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).