(4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole

C11H10BrNO — CID 175747149

IUPAC(4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole
SMILESCC1=N/C(=C\c2ccc(Br)cc2)CO1
InChIInChI=1S/C11H10BrNO/c1-8-13-11(7-14-8)6-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3/b11-6-
InChIKeyLXQURQNRYYFRQZ-WDZFZDKYSA-N
MW252.11 g/mol
LogP3.24
Rot. Bonds1

About (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole

(4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole (PubChem CID 175747149) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name(4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole
PubChem CID175747149
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name(4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole
SMILESCC1=N/C(=C\c2ccc(Br)cc2)CO1
InChIInChI=1S/C11H10BrNO/c1-8-13-11(7-14-8)6-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3/b11-6-
InChIKeyLXQURQNRYYFRQZ-WDZFZDKYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole?
The IUPAC name of (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole (CID 175747149) is (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole.
What is the SMILES notation for (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole?
The canonical SMILES for (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole is CC1=N/C(=C\c2ccc(Br)cc2)CO1.
What is the InChIKey of (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole?
The InChIKey is LXQURQNRYYFRQZ-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-8-13-11(7-14-8)6-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3/b11-6-.
What are the key properties of (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole?
(4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole has a molecular weight of 252.11 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole is sourced from PubChem (CID 175747149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).