5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one

C15H10Br2N2O2 — CID 71873594

IUPAC5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ncc(-c2ccccc2Br)o1
InChIInChI=1S/C15H10Br2N2O2/c16-10-5-6-15(20)19(8-10)9-14-18-7-13(21-14)11-3-1-2-4-12(11)17/h1-8H,9H2
InChIKeyVVOSKJMKJMJPNL-UHFFFAOYSA-N
MW410.07 g/mol
LogP4.08
Rot. Bonds3

About 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one

5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one (PubChem CID 71873594) has the molecular formula C15H10Br2N2O2 and a molecular weight of 410.07 g/mol. Its IUPAC name is 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one
PubChem CID71873594
Molecular FormulaC15H10Br2N2O2
Molecular Weight410.07 g/mol
Exact Mass407.91
IUPAC Name5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ncc(-c2ccccc2Br)o1
InChIInChI=1S/C15H10Br2N2O2/c16-10-5-6-15(20)19(8-10)9-14-18-7-13(21-14)11-3-1-2-4-12(11)17/h1-8H,9H2
InChIKeyVVOSKJMKJMJPNL-UHFFFAOYSA-N
XLogP4.08
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.07
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one (CID 71873594) is 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1ncc(-c2ccccc2Br)o1.
What is the InChIKey of 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one?
The InChIKey is VVOSKJMKJMJPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O2/c16-10-5-6-15(20)19(8-10)9-14-18-7-13(21-14)11-3-1-2-4-12(11)17/h1-8H,9H2.
What are the key properties of 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one?
5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one has a molecular weight of 410.07 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 71873594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).