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

C15H20N2O3 — CID 103075799

IUPAC6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
SMILESCC1(NCc2ccc3c(c2)NC(=O)CO3)CCOCC1
InChIInChI=1S/C15H20N2O3/c1-15(4-6-19-7-5-15)16-9-11-2-3-13-12(8-11)17-14(18)10-20-13/h2-3,8,16H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyOTNAVMPBPDRUIV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.68
Rot. Bonds3

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

6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 103075799) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
PubChem CID103075799
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
SMILESCC1(NCc2ccc3c(c2)NC(=O)CO3)CCOCC1
InChIInChI=1S/C15H20N2O3/c1-15(4-6-19-7-5-15)16-9-11-2-3-13-12(8-11)17-14(18)10-20-13/h2-3,8,16H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyOTNAVMPBPDRUIV-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[[(1-methylcyclopropyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075790
6-[(4-iodoanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075376
6-[(4-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075325
6-[(2,6-dichloroanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075638
6-[(3,3-dimethylbutylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075822
6-[(2-methylprop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075841
2,2-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738388
6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482
6-[(prop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075246
6-(2,2-dimethylpropyl)-4H-1,4-benzoxazin-3-one
CID 59743795
6-[(3-methylsulfanylpropylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075592
6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075747

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one (CID 103075799) is 6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one is CC1(NCc2ccc3c(c2)NC(=O)CO3)CCOCC1.
What is the InChIKey of 6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is OTNAVMPBPDRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(4-6-19-7-5-15)16-9-11-2-3-13-12(8-11)17-14(18)10-20-13/h2-3,8,16H,4-7,9-10H2,1H3,(H,17,18).
What are the key properties of 6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one?
6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103075799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).