6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one

C16H22N2O3 — CID 103910296

IUPAC6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC1CC(NC(C)c2ccc3c(c2)NC(=O)CO3)CCO1
InChIInChI=1S/C16H22N2O3/c1-10-7-13(5-6-20-10)17-11(2)12-3-4-15-14(8-12)18-16(19)9-21-15/h3-4,8,10-11,13,17H,5-7,9H2,1-2H3,(H,18,19)
InChIKeyQFSZDOVUWVBWRR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.24
Rot. Bonds3

About 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one

6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 103910296) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID103910296
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC1CC(NC(C)c2ccc3c(c2)NC(=O)CO3)CCO1
InChIInChI=1S/C16H22N2O3/c1-10-7-13(5-6-20-10)17-11(2)12-3-4-15-14(8-12)18-16(19)9-21-15/h3-4,8,10-11,13,17H,5-7,9H2,1-2H3,(H,18,19)
InChIKeyQFSZDOVUWVBWRR-UHFFFAOYSA-N
XLogP2.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43609607
6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43200721
6-[1-[(3-methoxycyclobutyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104871419
6-[1-[(3,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104530994
6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 64907786
6-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 43098081
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
6-[hydroxy-(5-methyloxolan-2-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 81329994
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
(4R)-4-methyl-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azepane-1-carboxamide
CID 95251768
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-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one (CID 103910296) is 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one is CC1CC(NC(C)c2ccc3c(c2)NC(=O)CO3)CCO1.
What is the InChIKey of 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is QFSZDOVUWVBWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-7-13(5-6-20-10)17-11(2)12-3-4-15-14(8-12)18-16(19)9-21-15/h3-4,8,10-11,13,17H,5-7,9H2,1-2H3,(H,18,19).
What are the key properties of 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one?
6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 290.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103910296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).