N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

C23H23ClN4O3 — CID 42288429

IUPACN-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)NCc3cc4cc(Cl)ccc4[nH]3)o2)cc1
InChIInChI=1S/C23H23ClN4O3/c1-30-19-6-2-15(3-7-19)4-10-22-27-28-23(31-22)11-9-21(29)25-14-18-13-16-12-17(24)5-8-20(16)26-18/h2-3,5-8,12-13,26H,4,9-11,14H2,1H3,(H,25,29)
InChIKeyRUNUNSCBZDIMSA-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.25
Rot. Bonds9

About N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42288429) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42288429
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC NameN-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)NCc3cc4cc(Cl)ccc4[nH]3)o2)cc1
InChIInChI=1S/C23H23ClN4O3/c1-30-19-6-2-15(3-7-19)4-10-22-27-28-23(31-22)11-9-21(29)25-14-18-13-16-12-17(24)5-8-20(16)26-18/h2-3,5-8,12-13,26H,4,9-11,14H2,1H3,(H,25,29)
InChIKeyRUNUNSCBZDIMSA-UHFFFAOYSA-N
XLogP4.25
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 42288429) is N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is COc1ccc(CCc2nnc(CCC(=O)NCc3cc4cc(Cl)ccc4[nH]3)o2)cc1.
What is the InChIKey of N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is RUNUNSCBZDIMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-30-19-6-2-15(3-7-19)4-10-22-27-28-23(31-22)11-9-21(29)25-14-18-13-16-12-17(24)5-8-20(16)26-18/h2-3,5-8,12-13,26H,4,9-11,14H2,1H3,(H,25,29).
What are the key properties of N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 438.92 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42288429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).