1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C17H20N4O3 — CID 71928759

IUPAC1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n[nH]1
InChIInChI=1S/C17H20N4O3/c1-2-15-18-16(20-19-15)14-8-21(5-6-24-14)17(22)11-3-4-12-9-23-10-13(12)7-11/h3-4,7,14H,2,5-6,8-10H2,1H3,(H,18,19,20)
InChIKeyVPNRJMOQIFANMN-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.61
Rot. Bonds3

About 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 71928759) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID71928759
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n[nH]1
InChIInChI=1S/C17H20N4O3/c1-2-15-18-16(20-19-15)14-8-21(5-6-24-14)17(22)11-3-4-12-9-23-10-13(12)7-11/h3-4,7,14H,2,5-6,8-10H2,1H3,(H,18,19,20)
InChIKeyVPNRJMOQIFANMN-UHFFFAOYSA-N
XLogP1.61
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 71928759) is 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCc1nc(C2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n[nH]1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is VPNRJMOQIFANMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-15-18-16(20-19-15)14-8-21(5-6-24-14)17(22)11-3-4-12-9-23-10-13(12)7-11/h3-4,7,14H,2,5-6,8-10H2,1H3,(H,18,19,20).
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71928759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).