3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide

C18H21N5O3 — CID 71710363

IUPAC3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCOc1ccc2c(ccn2CCC(=O)Nc2n[nH]c(C3CCCO3)n2)c1
InChIInChI=1S/C18H21N5O3/c1-25-13-4-5-14-12(11-13)6-8-23(14)9-7-16(24)19-18-20-17(21-22-18)15-3-2-10-26-15/h4-6,8,11,15H,2-3,7,9-10H2,1H3,(H2,19,20,21,22,24)
InChIKeyICLCQPUXOQLUPY-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.65
Rot. Bonds6

About 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide

3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 71710363) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID71710363
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCOc1ccc2c(ccn2CCC(=O)Nc2n[nH]c(C3CCCO3)n2)c1
InChIInChI=1S/C18H21N5O3/c1-25-13-4-5-14-12(11-13)6-8-23(14)9-7-16(24)19-18-20-17(21-22-18)15-3-2-10-26-15/h4-6,8,11,15H,2-3,7,9-10H2,1H3,(H2,19,20,21,22,24)
InChIKeyICLCQPUXOQLUPY-UHFFFAOYSA-N
XLogP2.65
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide (CID 71710363) is 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide is COc1ccc2c(ccn2CCC(=O)Nc2n[nH]c(C3CCCO3)n2)c1.
What is the InChIKey of 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is ICLCQPUXOQLUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-25-13-4-5-14-12(11-13)6-8-23(14)9-7-16(24)19-18-20-17(21-22-18)15-3-2-10-26-15/h4-6,8,11,15H,2-3,7,9-10H2,1H3,(H2,19,20,21,22,24).
What are the key properties of 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide?
3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 355.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 71710363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).