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

C11H12BrN3O2 — CID 103948932

IUPAC4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cc(Br)c[nH]2)o1
InChIInChI=1S/C11H12BrN3O2/c1-6-4-14-11(17-6)7(2)15-10(16)9-3-8(12)5-13-9/h3-5,7,13H,1-2H3,(H,15,16)
InChIKeyVJUCGNVPBUWRAR-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.56
Rot. Bonds3

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

4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 103948932) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID103948932
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cc(Br)c[nH]2)o1
InChIInChI=1S/C11H12BrN3O2/c1-6-4-14-11(17-6)7(2)15-10(16)9-3-8(12)5-13-9/h3-5,7,13H,1-2H3,(H,15,16)
InChIKeyVJUCGNVPBUWRAR-UHFFFAOYSA-N
XLogP2.56
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
CID 100631185
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
2-amino-5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 106389722
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389570
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 103948958
3-hydroxy-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103958365
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 114182526
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 106390062
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389742
2-amino-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389806

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 103948932) is 4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is Cc1cnc(C(C)NC(=O)c2cc(Br)c[nH]2)o1.
What is the InChIKey of 4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VJUCGNVPBUWRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-6-4-14-11(17-6)7(2)15-10(16)9-3-8(12)5-13-9/h3-5,7,13H,1-2H3,(H,15,16).
What are the key properties of 4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103948932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).