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

C21H18F2N2O — CID 156790226

IUPAC4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(C)cn(Cc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C21H18F2N2O/c1-12-10-25(11-15-6-17(22)9-18(23)7-15)20-8-16(4-5-19(12)20)21-13(2)24-26-14(21)3/h4-10H,11H2,1-3H3
InChIKeyYLFQONWNCMVWOJ-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.55
Rot. Bonds3

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

4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 156790226) has the molecular formula C21H18F2N2O and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID156790226
Molecular FormulaC21H18F2N2O
Molecular Weight352.38 g/mol
Exact Mass352.14
IUPAC Name4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(C)cn(Cc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C21H18F2N2O/c1-12-10-25(11-15-6-17(22)9-18(23)7-15)20-8-16(4-5-19(12)20)21-13(2)24-26-14(21)3/h4-10H,11H2,1-3H3
InChIKeyYLFQONWNCMVWOJ-UHFFFAOYSA-N
XLogP5.55
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole (CID 156790226) is 4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2c(C)cn(Cc3cc(F)cc(F)c3)c2c1.
What is the InChIKey of 4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is YLFQONWNCMVWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O/c1-12-10-25(11-15-6-17(22)9-18(23)7-15)20-8-16(4-5-19(12)20)21-13(2)24-26-14(21)3/h4-10H,11H2,1-3H3.
What are the key properties of 4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(3,5-difluorophenyl)methyl]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 352.38 g/mol, XLogP of 5.55, 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]-3-methylindol-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 156790226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).