3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline

C18H13Cl2FN2O — CID 134180119

IUPAC3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline
SMILESNc1cc(Cl)c(C2(c3ncc(-c4ccc(F)cc4)o3)CC2)c(Cl)c1
InChIInChI=1S/C18H13Cl2FN2O/c19-13-7-12(22)8-14(20)16(13)18(5-6-18)17-23-9-15(24-17)10-1-3-11(21)4-2-10/h1-4,7-9H,5-6,22H2
InChIKeyWAGWBWILKYUQBG-UHFFFAOYSA-N
MW363.22 g/mol
LogP5.45
Rot. Bonds3

About 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline

3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline (PubChem CID 134180119) has the molecular formula C18H13Cl2FN2O and a molecular weight of 363.22 g/mol. Its IUPAC name is 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline
PubChem CID134180119
Molecular FormulaC18H13Cl2FN2O
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline
SMILESNc1cc(Cl)c(C2(c3ncc(-c4ccc(F)cc4)o3)CC2)c(Cl)c1
InChIInChI=1S/C18H13Cl2FN2O/c19-13-7-12(22)8-14(20)16(13)18(5-6-18)17-23-9-15(24-17)10-1-3-11(21)4-2-10/h1-4,7-9H,5-6,22H2
InChIKeyWAGWBWILKYUQBG-UHFFFAOYSA-N
XLogP5.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.22
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline 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 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline?
The IUPAC name of 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline (CID 134180119) is 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline.
What is the SMILES notation for 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline?
The canonical SMILES for 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline is Nc1cc(Cl)c(C2(c3ncc(-c4ccc(F)cc4)o3)CC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline?
The InChIKey is WAGWBWILKYUQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O/c19-13-7-12(22)8-14(20)16(13)18(5-6-18)17-23-9-15(24-17)10-1-3-11(21)4-2-10/h1-4,7-9H,5-6,22H2.
What are the key properties of 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline?
3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline has a molecular weight of 363.22 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]cyclopropyl]aniline is sourced from PubChem (CID 134180119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).