5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide

C13H9BrF2N2O2 — CID 118438171

IUPAC5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1ncoc1-c1cc(F)c(Br)cc1F
InChIInChI=1S/C13H9BrF2N2O2/c14-8-4-9(15)7(3-10(8)16)12-11(17-5-20-12)13(19)18-6-1-2-6/h3-6H,1-2H2,(H,18,19)
InChIKeyJNNDDMNMFWTSHF-UHFFFAOYSA-N
MW343.13 g/mol
LogP3.27
Rot. Bonds3

About 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide

5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide (PubChem CID 118438171) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
PubChem CID118438171
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC Name5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1ncoc1-c1cc(F)c(Br)cc1F
InChIInChI=1S/C13H9BrF2N2O2/c14-8-4-9(15)7(3-10(8)16)12-11(17-5-20-12)13(19)18-6-1-2-6/h3-6H,1-2H2,(H,18,19)
InChIKeyJNNDDMNMFWTSHF-UHFFFAOYSA-N
XLogP3.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide (CID 118438171) is 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide is O=C(NC1CC1)c1ncoc1-c1cc(F)c(Br)cc1F.
What is the InChIKey of 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The InChIKey is JNNDDMNMFWTSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c14-8-4-9(15)7(3-10(8)16)12-11(17-5-20-12)13(19)18-6-1-2-6/h3-6H,1-2H2,(H,18,19).
What are the key properties of 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide?
5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide has a molecular weight of 343.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,5-difluorophenyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118438171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).