[2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate

C24H17NO4 — CID 102334771

IUPAC[2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)c1oc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17NO4/c26-20(16-28-24(27)19-14-8-3-9-15-19)22-21(17-10-4-1-5-11-17)25-23(29-22)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyKNQLKOPOAOYFNA-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.05
Rot. Bonds6

About [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate

[2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate (PubChem CID 102334771) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate
PubChem CID102334771
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name[2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)c1oc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17NO4/c26-20(16-28-24(27)19-14-8-3-9-15-19)22-21(17-10-4-1-5-11-17)25-23(29-22)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyKNQLKOPOAOYFNA-UHFFFAOYSA-N
XLogP5.05
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 4614
CID 4614
CID 9890879
CID 9890879
CID 9947731
CID 9947731
CID 76491
CID 76491
CID 139703
CID 139703
CID 9890319
CID 9890319
CID 10164032
CID 10164032
CID 10164033
CID 10164033
CID 23685469
CID 23685469
CID 6918417
CID 6918417
CID 9866203
CID 9866203
CID 10004270
CID 10004270

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate?
The IUPAC name of [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate (CID 102334771) is [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate is O=C(OCC(=O)c1oc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate?
The InChIKey is KNQLKOPOAOYFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4/c26-20(16-28-24(27)19-14-8-3-9-15-19)22-21(17-10-4-1-5-11-17)25-23(29-22)18-12-6-2-7-13-18/h1-15H,16H2.
What are the key properties of [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate?
[2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate has a molecular weight of 383.40 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-diphenyl-1,3-oxazol-5-yl)-2-oxoethyl] benzoate is sourced from PubChem (CID 102334771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).