2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole

C11H10BrNO — CID 53310587

IUPAC2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole
SMILESC=C1OC(c2ccccc2Br)=NC1C
InChIInChI=1S/C11H10BrNO/c1-7-8(2)14-11(13-7)9-5-3-4-6-10(9)12/h3-7H,2H2,1H3
InChIKeyWLHXSUXNBQZECW-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.13
Rot. Bonds1

About 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole

2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole (PubChem CID 53310587) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole
PubChem CID53310587
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole
SMILESC=C1OC(c2ccccc2Br)=NC1C
InChIInChI=1S/C11H10BrNO/c1-7-8(2)14-11(13-7)9-5-3-4-6-10(9)12/h3-7H,2H2,1H3
InChIKeyWLHXSUXNBQZECW-UHFFFAOYSA-N
XLogP3.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine
CID 100940229
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole
CID 102050789
2-(2-bromophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 3611927
(4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 10968064
(4Z)-2-(2-bromophenyl)-4-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669251
4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 63868723
3-(2-bromophenyl)furan-2,5-dione
CID 54329998
2-(2-bromophenyl)-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 3109504
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259
1-[5-(2-bromophenyl)furan-2-yl]ethanamine
CID 62500197
(4Z)-2-(2-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669382

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole?
The IUPAC name of 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole (CID 53310587) is 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole?
The canonical SMILES for 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole is C=C1OC(c2ccccc2Br)=NC1C.
What is the InChIKey of 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole?
The InChIKey is WLHXSUXNBQZECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-8(2)14-11(13-7)9-5-3-4-6-10(9)12/h3-7H,2H2,1H3.
What are the key properties of 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole?
2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole has a molecular weight of 252.11 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole is sourced from PubChem (CID 53310587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).