3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone

C13H13NO3 — CID 102652618

IUPAC3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1cccc2c1OCCN2
InChIInChI=1S/C13H13NO3/c15-12(11-5-2-7-16-11)9-3-1-4-10-13(9)17-8-6-14-10/h1,3-5,14H,2,6-8H2
InChIKeyXVPZFFKXMDTQOK-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.98
Rot. Bonds2

About 3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone

3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102652618) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
PubChem CID102652618
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1cccc2c1OCCN2
InChIInChI=1S/C13H13NO3/c15-12(11-5-2-7-16-11)9-3-1-4-10-13(9)17-8-6-14-10/h1,3-5,14H,2,6-8H2
InChIKeyXVPZFFKXMDTQOK-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone
CID 116610705
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone
CID 116610704
(2,3-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652719
2,3-dihydrofuran-5-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 102652415
(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652727
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114332154
1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2-(4-iodophenyl)ethanone
CID 116610685
N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 102632018
(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 107469137
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 116786796
N-but-3-yn-2-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114417159
(2,6-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102651034

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone (CID 102652618) is 3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)c1cccc2c1OCCN2.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is XVPZFFKXMDTQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12(11-5-2-7-16-11)9-3-1-4-10-13(9)17-8-6-14-10/h1,3-5,14H,2,6-8H2.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone?
3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 231.25 g/mol, XLogP of 1.98, 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(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102652618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).