N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide

C19H18BrN3O2S — CID 156859704

IUPACN-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
SMILESCCCN(Sc1cccc(NC(=O)c2ncco2)c1)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2S/c1-2-11-23(16-8-6-14(20)7-9-16)26-17-5-3-4-15(13-17)22-18(24)19-21-10-12-25-19/h3-10,12-13H,2,11H2,1H3,(H,22,24)
InChIKeyBESOHZUFCNDSQK-UHFFFAOYSA-N
MW432.34 g/mol
LogP5.61
Rot. Bonds7

About N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide

N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide (PubChem CID 156859704) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
PubChem CID156859704
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC NameN-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
SMILESCCCN(Sc1cccc(NC(=O)c2ncco2)c1)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2S/c1-2-11-23(16-8-6-14(20)7-9-16)26-17-5-3-4-15(13-17)22-18(24)19-21-10-12-25-19/h3-10,12-13H,2,11H2,1H3,(H,22,24)
InChIKeyBESOHZUFCNDSQK-UHFFFAOYSA-N
XLogP5.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.34
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-ethyl-3-[4-(trifluoromethyl)anilino]sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859712
N-[4-fluoro-3-(4-fluoroanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156860002
N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755207
N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide
CID 156859643
N-[3-(4-bromoanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859820
(4-Bromoanilino)-hydroxy-[2-(2-hydroxyethyl)-5-(1,3-oxazole-2-carbonylamino)phenyl]sulfanium
CID 156859970
N-[3-(4-bromoanilino)sulfanyl-4-(2-hydroxyethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 156860005
N-[3-[(4-bromophenyl)sulfamoyl]-4-(2-hydroxyethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 166748377
N-[3-(4-bromophenyl)sulfinamoyl-4-(2-hydroxyethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 166755082
N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide
CID 166755191
N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755192
N-[3-[(4-bromophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 169965321

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide (CID 156859704) is N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide is CCCN(Sc1cccc(NC(=O)c2ncco2)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is BESOHZUFCNDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c1-2-11-23(16-8-6-14(20)7-9-16)26-17-5-3-4-15(13-17)22-18(24)19-21-10-12-25-19/h3-10,12-13H,2,11H2,1H3,(H,22,24).
What are the key properties of N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide?
N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 432.34 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 156859704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).