2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one

C18H14BrNO2 — CID 2875277

IUPAC2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(C)c(C=C2N=C(c3ccccc3Br)OC2=O)c1
InChIInChI=1S/C18H14BrNO2/c1-11-7-8-12(2)13(9-11)10-16-18(21)22-17(20-16)14-5-3-4-6-15(14)19/h3-10H,1-2H3
InChIKeyPGWSMSYXZAYGSQ-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.41
Rot. Bonds2

About 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one

2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 2875277) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID2875277
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(C)c(C=C2N=C(c3ccccc3Br)OC2=O)c1
InChIInChI=1S/C18H14BrNO2/c1-11-7-8-12(2)13(9-11)10-16-18(21)22-17(20-16)14-5-3-4-6-15(14)19/h3-10H,1-2H3
InChIKeyPGWSMSYXZAYGSQ-UHFFFAOYSA-N
XLogP4.41
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2687709
2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 4590383
(4Z)-2-(2-chloro-5-nitrophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 19672098
(4E)-2-(2,6-dimethoxyphenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937456
2-(2-bromophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 603898
4-[(2,5-dimethylphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 2875285
(4E)-2-(2-bromophenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 6183828
(4E)-2-(2-bromophenyl)-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1004822
(4E)-4-[(2,5-dimethylphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 2687436
2-(2-bromophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 3611927
(4Z)-4-[(3,5-dibromo-2-methoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667755
(4Z)-2-(2-bromophenyl)-4-[(2-butoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19669487

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one (CID 2875277) is 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one is Cc1ccc(C)c(C=C2N=C(c3ccccc3Br)OC2=O)c1.
What is the InChIKey of 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is PGWSMSYXZAYGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c1-11-7-8-12(2)13(9-11)10-16-18(21)22-17(20-16)14-5-3-4-6-15(14)19/h3-10H,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one?
2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 356.22 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 2875277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).