2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide

C20H18BrClN2O2 — CID 90370428

IUPAC2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(-c2ccc(Br)cc2)oc1-c1cccc(Cl)c1
InChIInChI=1S/C20H18BrClN2O2/c1-12(2)23-18(25)11-17-19(14-4-3-5-16(22)10-14)26-20(24-17)13-6-8-15(21)9-7-13/h3-10,12H,11H2,1-2H3,(H,23,25)
InChIKeyVNMAOYBVBFPWBK-UHFFFAOYSA-N
MW433.73 g/mol
LogP5.49
Rot. Bonds5

About 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide

2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 90370428) has the molecular formula C20H18BrClN2O2 and a molecular weight of 433.73 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
PubChem CID90370428
Molecular FormulaC20H18BrClN2O2
Molecular Weight433.73 g/mol
Exact Mass432.02
IUPAC Name2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(-c2ccc(Br)cc2)oc1-c1cccc(Cl)c1
InChIInChI=1S/C20H18BrClN2O2/c1-12(2)23-18(25)11-17-19(14-4-3-5-16(22)10-14)26-20(24-17)13-6-8-15(21)9-7-13/h3-10,12H,11H2,1-2H3,(H,23,25)
InChIKeyVNMAOYBVBFPWBK-UHFFFAOYSA-N
XLogP5.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.73
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide (CID 90370428) is 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1nc(-c2ccc(Br)cc2)oc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is VNMAOYBVBFPWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O2/c1-12(2)23-18(25)11-17-19(14-4-3-5-16(22)10-14)26-20(24-17)13-6-8-15(21)9-7-13/h3-10,12H,11H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide?
2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 433.73 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-5-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).