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

C18H19N7O2 — CID 91624283

IUPAC3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide
SMILESCc1noc(-c2cn(CCNC(=O)CCc3c[nH]c4ccccc34)nn2)n1
InChIInChI=1S/C18H19N7O2/c1-12-21-18(27-23-12)16-11-25(24-22-16)9-8-19-17(26)7-6-13-10-20-15-5-3-2-4-14(13)15/h2-5,10-11,20H,6-9H2,1H3,(H,19,26)
InChIKeyBWICJDMFPIGUGM-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.87
Rot. Bonds7

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

3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide (PubChem CID 91624283) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide
PubChem CID91624283
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide
SMILESCc1noc(-c2cn(CCNC(=O)CCc3c[nH]c4ccccc34)nn2)n1
InChIInChI=1S/C18H19N7O2/c1-12-21-18(27-23-12)16-11-25(24-22-16)9-8-19-17(26)7-6-13-10-20-15-5-3-2-4-14(13)15/h2-5,10-11,20H,6-9H2,1H3,(H,19,26)
InChIKeyBWICJDMFPIGUGM-UHFFFAOYSA-N
XLogP1.87
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide (CID 91624283) is 3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide is Cc1noc(-c2cn(CCNC(=O)CCc3c[nH]c4ccccc34)nn2)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide?
The InChIKey is BWICJDMFPIGUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-12-21-18(27-23-12)16-11-25(24-22-16)9-8-19-17(26)7-6-13-10-20-15-5-3-2-4-14(13)15/h2-5,10-11,20H,6-9H2,1H3,(H,19,26).
What are the key properties of 3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide?
3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide has a molecular weight of 365.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 91624283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).