2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C16H23N5O3 — CID 71928089

IUPAC2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCCc1nc(C2CN(CC(=O)N(C)Cc3ccco3)CCO2)n[nH]1
InChIInChI=1S/C16H23N5O3/c1-3-14-17-16(19-18-14)13-10-21(6-8-24-13)11-15(22)20(2)9-12-5-4-7-23-12/h4-5,7,13H,3,6,8-11H2,1-2H3,(H,17,18,19)
InChIKeyORHSAJMHJHZOPT-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.99
Rot. Bonds6

About 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 71928089) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID71928089
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCCc1nc(C2CN(CC(=O)N(C)Cc3ccco3)CCO2)n[nH]1
InChIInChI=1S/C16H23N5O3/c1-3-14-17-16(19-18-14)13-10-21(6-8-24-13)11-15(22)20(2)9-12-5-4-7-23-12/h4-5,7,13H,3,6,8-11H2,1-2H3,(H,17,18,19)
InChIKeyORHSAJMHJHZOPT-UHFFFAOYSA-N
XLogP0.99
TPSA87.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 71928089) is 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is CCc1nc(C2CN(CC(=O)N(C)Cc3ccco3)CCO2)n[nH]1.
What is the InChIKey of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is ORHSAJMHJHZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-3-14-17-16(19-18-14)13-10-21(6-8-24-13)11-15(22)20(2)9-12-5-4-7-23-12/h4-5,7,13H,3,6,8-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 333.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 71928089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).