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

C14H14BrN3O3 — CID 53377449

IUPAC2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(NC(=O)c2ccccc2Br)n1
InChIInChI=1S/C14H14BrN3O3/c1-2-7-16-13(20)11-8-21-14(17-11)18-12(19)9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyAZXRINLMXIFDRC-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.83
Rot. Bonds5

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

2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide (PubChem CID 53377449) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide
PubChem CID53377449
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(NC(=O)c2ccccc2Br)n1
InChIInChI=1S/C14H14BrN3O3/c1-2-7-16-13(20)11-8-21-14(17-11)18-12(19)9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyAZXRINLMXIFDRC-UHFFFAOYSA-N
XLogP2.83
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.83
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-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide (CID 53377449) is 2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide is CCCNC(=O)c1coc(NC(=O)c2ccccc2Br)n1.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is AZXRINLMXIFDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-2-7-16-13(20)11-8-21-14(17-11)18-12(19)9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide?
2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 2.83, 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-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53377449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).