4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C16H19N3O3 — CID 166257373

IUPAC4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(Cc3cccc4c3OCC4)CCO2)o1
InChIInChI=1S/C16H19N3O3/c1-11-17-18-16(22-11)14-10-19(6-8-20-14)9-13-4-2-3-12-5-7-21-15(12)13/h2-4,14H,5-10H2,1H3
InChIKeyOCONCTMSPAVXJZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.89
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 166257373) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID166257373
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(Cc3cccc4c3OCC4)CCO2)o1
InChIInChI=1S/C16H19N3O3/c1-11-17-18-16(22-11)14-10-19(6-8-20-14)9-13-4-2-3-12-5-7-21-15(12)13/h2-4,14H,5-10H2,1H3
InChIKeyOCONCTMSPAVXJZ-UHFFFAOYSA-N
XLogP1.89
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 166257373) is 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc(C2CN(Cc3cccc4c3OCC4)CCO2)o1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is OCONCTMSPAVXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-17-18-16(22-11)14-10-19(6-8-20-14)9-13-4-2-3-12-5-7-21-15(12)13/h2-4,14H,5-10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 301.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 166257373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).