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

C12H13BrN4O2 — CID 54877618

IUPAC4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H13BrN4O2/c1-2-17-6-8(13)5-9(17)10(18)14-12-16-15-11(19-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,16,18)
InChIKeyWAPBSMDAMFLIKQ-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.78
Rot. Bonds4

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

4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide (PubChem CID 54877618) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide
PubChem CID54877618
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H13BrN4O2/c1-2-17-6-8(13)5-9(17)10(18)14-12-16-15-11(19-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,16,18)
InChIKeyWAPBSMDAMFLIKQ-UHFFFAOYSA-N
XLogP2.78
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide (CID 54877618) is 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is WAPBSMDAMFLIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-2-17-6-8(13)5-9(17)10(18)14-12-16-15-11(19-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,16,18).
What are the key properties of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 2.78, 4 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)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 54877618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).