4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide

C10H10BrN3O2 — CID 43640717

IUPAC4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)cn2C)on1
InChIInChI=1S/C10H10BrN3O2/c1-6-3-9(16-13-6)12-10(15)8-4-7(11)5-14(8)2/h3-5H,1-2H3,(H,12,15)
InChIKeyGRABEBSGOXKUMS-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.34
Rot. Bonds2

About 4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide (PubChem CID 43640717) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
PubChem CID43640717
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)cn2C)on1
InChIInChI=1S/C10H10BrN3O2/c1-6-3-9(16-13-6)12-10(15)8-4-7(11)5-14(8)2/h3-5H,1-2H3,(H,12,15)
InChIKeyGRABEBSGOXKUMS-UHFFFAOYSA-N
XLogP2.34
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.34
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-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide (CID 43640717) is 4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide is Cc1cc(NC(=O)c2cc(Br)cn2C)on1.
What is the InChIKey of 4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is GRABEBSGOXKUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-6-3-9(16-13-6)12-10(15)8-4-7(11)5-14(8)2/h3-5H,1-2H3,(H,12,15).
What are the key properties of 4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 284.11 g/mol, XLogP of 2.34, 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-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43640717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).