3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

C17H21NO3 — CID 116610554

IUPAC3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1cccc2c1OCCN2)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H21NO3/c19-15(12-5-9-21-17(11-12)6-2-7-17)13-3-1-4-14-16(13)20-10-8-18-14/h1,3-4,12,18H,2,5-11H2
InChIKeyLDSSBVFJOBYRSP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.02
Rot. Bonds2

About 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 116610554) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID116610554
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1cccc2c1OCCN2)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H21NO3/c19-15(12-5-9-21-17(11-12)6-2-7-17)13-3-1-4-14-16(13)20-10-8-18-14/h1,3-4,12,18H,2,5-11H2
InChIKeyLDSSBVFJOBYRSP-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone with MolForge

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Related Compounds

(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
(3-bromo-2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783936
(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783977
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330
(3-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787814
(3-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787426
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79920949
1-benzothiophen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783963
5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone
CID 105115605
N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 102632018
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 116610554) is 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is O=C(c1cccc2c1OCCN2)C1CCOC2(CCC2)C1.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is LDSSBVFJOBYRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15(12-5-9-21-17(11-12)6-2-7-17)13-3-1-4-14-16(13)20-10-8-18-14/h1,3-4,12,18H,2,5-11H2.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 116610554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).