3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide

C23H23ClN4O3 — CID 70683347

IUPAC3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12
InChIInChI=1S/C23H23ClN4O3/c1-13(2)30-19-9-7-14(11-18(19)24)23-27-22(28-31-23)17-6-4-5-16-15(12-26-21(16)17)8-10-20(29)25-3/h4-7,9,11-13,26H,8,10H2,1-3H3,(H,25,29)
InChIKeyHADCHHTUSNIVIZ-UHFFFAOYSA-N
MW438.92 g/mol
LogP5.00
Rot. Bonds7

About 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide

3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide (PubChem CID 70683347) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide
PubChem CID70683347
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12
InChIInChI=1S/C23H23ClN4O3/c1-13(2)30-19-9-7-14(11-18(19)24)23-27-22(28-31-23)17-6-4-5-16-15(12-26-21(16)17)8-10-20(29)25-3/h4-7,9,11-13,26H,8,10H2,1-3H3,(H,25,29)
InChIKeyHADCHHTUSNIVIZ-UHFFFAOYSA-N
XLogP5.00
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide?
The IUPAC name of 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide (CID 70683347) is 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide is CNC(=O)CCc1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12.
What is the InChIKey of 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide?
The InChIKey is HADCHHTUSNIVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-13(2)30-19-9-7-14(11-18(19)24)23-27-22(28-31-23)17-6-4-5-16-15(12-26-21(16)17)8-10-20(29)25-3/h4-7,9,11-13,26H,8,10H2,1-3H3,(H,25,29).
What are the key properties of 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide?
3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide has a molecular weight of 438.92 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylpropanamide is sourced from PubChem (CID 70683347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).