[6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone

C21H25N3O4 — CID 134808934

IUPAC[6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2c(o1)CCN(Cc1ccc3c(c1)CCO3)CC2)N1CCOCC1
InChIInChI=1S/C21H25N3O4/c25-21(24-8-11-26-12-9-24)20-22-17-3-6-23(7-4-19(17)28-20)14-15-1-2-18-16(13-15)5-10-27-18/h1-2,13H,3-12,14H2
InChIKeyJUYZTQVVTGTAIS-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.68
Rot. Bonds3

About [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone

[6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (PubChem CID 134808934) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
PubChem CID134808934
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name[6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2c(o1)CCN(Cc1ccc3c(c1)CCO3)CC2)N1CCOCC1
InChIInChI=1S/C21H25N3O4/c25-21(24-8-11-26-12-9-24)20-22-17-3-6-23(7-4-19(17)28-20)14-15-1-2-18-16(13-15)5-10-27-18/h1-2,13H,3-12,14H2
InChIKeyJUYZTQVVTGTAIS-UHFFFAOYSA-N
XLogP1.68
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (CID 134808934) is [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is O=C(c1nc2c(o1)CCN(Cc1ccc3c(c1)CCO3)CC2)N1CCOCC1.
What is the InChIKey of [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is JUYZTQVVTGTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-21(24-8-11-26-12-9-24)20-22-17-3-6-23(7-4-19(17)28-20)14-15-1-2-18-16(13-15)5-10-27-18/h1-2,13H,3-12,14H2.
What are the key properties of [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
[6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 383.45 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134808934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).