4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide

C13H15BrN4O2 — CID 99840366

IUPAC4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCc1nnc(C2CC2)o1
InChIInChI=1S/C13H15BrN4O2/c1-2-18-7-9(14)5-10(18)12(19)15-6-11-16-17-13(20-11)8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H,15,19)
InChIKeyJGYTZXFUEUWKQK-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.46
Rot. Bonds5

About 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide

4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide (PubChem CID 99840366) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide
PubChem CID99840366
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCc1nnc(C2CC2)o1
InChIInChI=1S/C13H15BrN4O2/c1-2-18-7-9(14)5-10(18)12(19)15-6-11-16-17-13(20-11)8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H,15,19)
InChIKeyJGYTZXFUEUWKQK-UHFFFAOYSA-N
XLogP2.46
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 55137906
4-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-1-ethylpyrrole-2-carboxamide
CID 54914323
4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
CID 66005799
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethylpyrrole-2-carboxamide
CID 78916943
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510103
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 136538965
4-bromo-1-ethyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
CID 62728987
4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65123856
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286
4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 56551808

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide (CID 99840366) is 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCc1nnc(C2CC2)o1.
What is the InChIKey of 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide?
The InChIKey is JGYTZXFUEUWKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-2-18-7-9(14)5-10(18)12(19)15-6-11-16-17-13(20-11)8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H,15,19).
What are the key properties of 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide?
4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 99840366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).