4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide

C15H14Br2N2O2 — CID 53324813

IUPAC4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(-c2ccc(Br)cc2)c1Br
InChIInChI=1S/C15H14Br2N2O2/c16-10-7-5-9(6-8-10)14-12(17)13(19-21-14)15(20)18-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,18,20)
InChIKeySHBGWSIPKFLWGC-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.54
Rot. Bonds3

About 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide

4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide (PubChem CID 53324813) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
PubChem CID53324813
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(-c2ccc(Br)cc2)c1Br
InChIInChI=1S/C15H14Br2N2O2/c16-10-7-5-9(6-8-10)14-12(17)13(19-21-14)15(20)18-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,18,20)
InChIKeySHBGWSIPKFLWGC-UHFFFAOYSA-N
XLogP4.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide (CID 53324813) is 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide is O=C(NC1CCCC1)c1noc(-c2ccc(Br)cc2)c1Br.
What is the InChIKey of 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
The InChIKey is SHBGWSIPKFLWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-10-7-5-9(6-8-10)14-12(17)13(19-21-14)15(20)18-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,18,20).
What are the key properties of 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide has a molecular weight of 414.10 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-bromophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53324813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).