2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

C15H16BrN3O3 — CID 53377440

IUPAC2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1coc(NC(=O)c2ccccc2Br)n1
InChIInChI=1S/C15H16BrN3O3/c1-9(2)7-17-14(21)12-8-22-15(18-12)19-13(20)10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyWSHVOKKTODFCBQ-UHFFFAOYSA-N
MW366.22 g/mol
LogP3.08
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 53377440) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID53377440
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1coc(NC(=O)c2ccccc2Br)n1
InChIInChI=1S/C15H16BrN3O3/c1-9(2)7-17-14(21)12-8-22-15(18-12)19-13(20)10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyWSHVOKKTODFCBQ-UHFFFAOYSA-N
XLogP3.08
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (CID 53377440) is 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is CC(C)CNC(=O)c1coc(NC(=O)c2ccccc2Br)n1.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WSHVOKKTODFCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-9(2)7-17-14(21)12-8-22-15(18-12)19-13(20)10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53377440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).