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

C11H10BrN3O2 — CID 62903302

IUPAC4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccon1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H10BrN3O2/c12-7-5-9(15(6-7)8-1-2-8)11(16)13-10-3-4-17-14-10/h3-6,8H,1-2H2,(H,13,14,16)
InChIKeyLGEOHFIUULGTLW-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.83
Rot. Bonds3

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

4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide (PubChem CID 62903302) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide
PubChem CID62903302
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccon1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H10BrN3O2/c12-7-5-9(15(6-7)8-1-2-8)11(16)13-10-3-4-17-14-10/h3-6,8H,1-2H2,(H,13,14,16)
InChIKeyLGEOHFIUULGTLW-UHFFFAOYSA-N
XLogP2.83
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide (CID 62903302) is 4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide is O=C(Nc1ccon1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is LGEOHFIUULGTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c12-7-5-9(15(6-7)8-1-2-8)11(16)13-10-3-4-17-14-10/h3-6,8H,1-2H2,(H,13,14,16).
What are the key properties of 4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 296.12 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 62903302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).