3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C19H14F3N3O2 — CID 139532692

IUPAC3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCOc1ccc2c(ccn2Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1
InChIInChI=1S/C19H14F3N3O2/c1-26-15-6-7-16-14(10-15)8-9-25(16)11-12-2-4-13(5-3-12)17-23-18(27-24-17)19(20,21)22/h2-10H,11H2,1H3
InChIKeyUDWULDTVTUZJNR-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.77
Rot. Bonds4

About 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 139532692) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID139532692
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCOc1ccc2c(ccn2Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1
InChIInChI=1S/C19H14F3N3O2/c1-26-15-6-7-16-14(10-15)8-9-25(16)11-12-2-4-13(5-3-12)17-23-18(27-24-17)19(20,21)22/h2-10H,11H2,1H3
InChIKeyUDWULDTVTUZJNR-UHFFFAOYSA-N
XLogP4.77
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(5-methylindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532772
1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423086
3-[(4-methoxyphenyl)methylamino]-4-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155708382
3-[4-[[5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 137414258
5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 15526324
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-2-carbaldehyde
CID 139532705
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 116619426
3-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 166793542
3-[4-(triazolo[4,5-b]pyridin-4-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135353242
3-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1H-pyrazol-5-one
CID 139532702

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 139532692) is 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is COc1ccc2c(ccn2Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1.
What is the InChIKey of 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is UDWULDTVTUZJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-26-15-6-7-16-14(10-15)8-9-25(16)11-12-2-4-13(5-3-12)17-23-18(27-24-17)19(20,21)22/h2-10H,11H2,1H3.
What are the key properties of 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 373.33 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 139532692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).