6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one

C15H20N2O3 — CID 43609607

IUPAC6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC(NC1CCOCC1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H20N2O3/c1-10(16-12-4-6-19-7-5-12)11-2-3-14-13(8-11)17-15(18)9-20-14/h2-3,8,10,12,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyDVFMAPPIGFOTDP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.85
Rot. Bonds3

About 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one

6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 43609607) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID43609607
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC(NC1CCOCC1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H20N2O3/c1-10(16-12-4-6-19-7-5-12)11-2-3-14-13(8-11)17-15(18)9-20-14/h2-3,8,10,12,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyDVFMAPPIGFOTDP-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43200721
6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 103910296
6-[1-[(3,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104530994
6-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 43098081
6-[1-[(3-methoxycyclobutyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104871419
6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 64907786
6-[1-(thiolan-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 107165855
6-[1-(but-3-yn-2-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 114415203
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 126935774
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 61499457

Frequently Asked Questions

What is the IUPAC name of 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one (CID 43609607) is 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one is CC(NC1CCOCC1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is DVFMAPPIGFOTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(16-12-4-6-19-7-5-12)11-2-3-14-13(8-11)17-15(18)9-20-14/h2-3,8,10,12,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one?
6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43609607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).