3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole

C19H15Cl2N3O2 — CID 175942796

IUPAC3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(-c2nc(-n3cc(Cl)c4ccccc43)no2)cc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c1-11(2)25-17-8-7-12(9-14(17)20)18-22-19(23-26-18)24-10-15(21)13-5-3-4-6-16(13)24/h3-11H,1-2H3
InChIKeyMFTMZGPBKBLKDZ-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.77
Rot. Bonds4

About 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole

3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 175942796) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID175942796
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(-c2nc(-n3cc(Cl)c4ccccc43)no2)cc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c1-11(2)25-17-8-7-12(9-14(17)20)18-22-19(23-26-18)24-10-15(21)13-5-3-4-6-16(13)24/h3-11H,1-2H3
InChIKeyMFTMZGPBKBLKDZ-UHFFFAOYSA-N
XLogP5.77
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indole-5-carbaldehyde
CID 170163477
5-[[3-chloro-1-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-6-fluoroindol-5-yl]methylamino]-4,4-dimethylpentanoic acid
CID 170163362
3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 59556739
5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]isoindole-2-carboxylic acid
CID 67230085
3-(3-bromo-2-methylphenyl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 67290027
5-(3-chloro-4-propan-2-yloxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole
CID 141211740
5-[4-(azetidin-1-ylmethyl)phenyl]-3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 141206756
2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]propane-1,3-diol
CID 59556640
3-(3-chloro-4-propan-2-yloxyphenyl)-5-(2H-pyrrol-5-yl)-1,2,4-oxadiazole
CID 71094123
ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate
CID 67094462
2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]butan-1-ol
CID 143701843
trans-(1R,2R)-2-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]cyclopropane-1-carboxylic acid
CID 44548222

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole (CID 175942796) is 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole is CC(C)Oc1ccc(-c2nc(-n3cc(Cl)c4ccccc43)no2)cc1Cl.
What is the InChIKey of 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is MFTMZGPBKBLKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-11(2)25-17-8-7-12(9-14(17)20)18-22-19(23-26-18)24-10-15(21)13-5-3-4-6-16(13)24/h3-11H,1-2H3.
What are the key properties of 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 388.25 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroindol-1-yl)-5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 175942796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).