6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one

C14H18N2O3 — CID 103075747

IUPAC6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CNOC3CCCC3)cc2N1
InChIInChI=1S/C14H18N2O3/c17-14-9-18-13-6-5-10(7-12(13)16-14)8-15-19-11-3-1-2-4-11/h5-7,11,15H,1-4,8-9H2,(H,16,17)
InChIKeyQXAGCXPHPHCPCU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.98
Rot. Bonds4

About 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one

6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 103075747) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID103075747
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CNOC3CCCC3)cc2N1
InChIInChI=1S/C14H18N2O3/c17-14-9-18-13-6-5-10(7-12(13)16-14)8-15-19-11-3-1-2-4-11/h5-7,11,15H,1-4,8-9H2,(H,16,17)
InChIKeyQXAGCXPHPHCPCU-UHFFFAOYSA-N
XLogP1.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661
6-[[(1-methylcyclopropyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075790
6-[[(2-oxopiperidin-3-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075541
1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine
CID 83229225
6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075647
6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075519
6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075799
6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482
6-[[3-(2-methoxyethoxy)propylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075356
6-[(prop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075246
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetaldehyde
CID 91313215
6-[(3,5-dichloroanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075278

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one (CID 103075747) is 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CNOC3CCCC3)cc2N1.
What is the InChIKey of 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is QXAGCXPHPHCPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14-9-18-13-6-5-10(7-12(13)16-14)8-15-19-11-3-1-2-4-11/h5-7,11,15H,1-4,8-9H2,(H,16,17).
What are the key properties of 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one?
6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103075747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).