4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole

C20H16F2N2O — CID 156790234

IUPAC4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C20H16F2N2O/c1-12-20(13(2)25-23-12)16-4-3-15-5-6-24(19(15)9-16)11-14-7-17(21)10-18(22)8-14/h3-10H,11H2,1-2H3
InChIKeyYQKKHBURSHFINJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP5.24
Rot. Bonds3

About 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 156790234) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID156790234
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C20H16F2N2O/c1-12-20(13(2)25-23-12)16-4-3-15-5-6-24(19(15)9-16)11-14-7-17(21)10-18(22)8-14/h3-10H,11H2,1-2H3
InChIKeyYQKKHBURSHFINJ-UHFFFAOYSA-N
XLogP5.24
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole 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

4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239
1-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylbenzimidazol-4-amine
CID 177247563
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 116619906
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole
CID 177247578
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one
CID 90234589
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one
CID 76684733
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 90234030
N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide
CID 87145352

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole (CID 156790234) is 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1.
What is the InChIKey of 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is YQKKHBURSHFINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-12-20(13(2)25-23-12)16-4-3-15-5-6-24(19(15)9-16)11-14-7-17(21)10-18(22)8-14/h3-10H,11H2,1-2H3.
What are the key properties of 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 338.36 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 156790234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).