4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide

C9H8BrN3O2 — CID 62903304

IUPAC4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cnoc1
InChIInChI=1S/C9H8BrN3O2/c1-13-4-6(10)2-8(13)9(14)12-7-3-11-15-5-7/h2-5H,1H3,(H,12,14)
InChIKeyREKQVPMUOBWUHR-UHFFFAOYSA-N
MW270.09 g/mol
LogP2.03
Rot. Bonds2

About 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide (PubChem CID 62903304) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide
PubChem CID62903304
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cnoc1
InChIInChI=1S/C9H8BrN3O2/c1-13-4-6(10)2-8(13)9(14)12-7-3-11-15-5-7/h2-5H,1H3,(H,12,14)
InChIKeyREKQVPMUOBWUHR-UHFFFAOYSA-N
XLogP2.03
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide (CID 62903304) is 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1cnoc1.
What is the InChIKey of 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is REKQVPMUOBWUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-13-4-6(10)2-8(13)9(14)12-7-3-11-15-5-7/h2-5H,1H3,(H,12,14).
What are the key properties of 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 270.09 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 62903304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).