4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one

C17H17FN2O2 — CID 82143059

IUPAC4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one
SMILESCC(CN)N1C(=O)C(c2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C17H17FN2O2/c1-11(10-19)20-14-9-13(18)7-8-15(14)22-16(17(20)21)12-5-3-2-4-6-12/h2-9,11,16H,10,19H2,1H3
InChIKeyOWCYFKTXMMEZLN-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.64
Rot. Bonds3

About 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one

4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one (PubChem CID 82143059) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one
PubChem CID82143059
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one
SMILESCC(CN)N1C(=O)C(c2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C17H17FN2O2/c1-11(10-19)20-14-9-13(18)7-8-15(14)22-16(17(20)21)12-5-3-2-4-6-12/h2-9,11,16H,10,19H2,1H3
InChIKeyOWCYFKTXMMEZLN-UHFFFAOYSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-(1-aminopropan-2-yl)-2-methyl-1,4-benzoxazin-3-one
CID 117039853
6-amino-4-(2-methylpropyl)-2-phenyl-1,4-benzoxazin-3-one
CID 82022157
4-(1-aminopropan-2-yl)-6-chloro-2-methyl-1,4-benzoxazin-3-one
CID 82143012
4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82143010
6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82022163
6-amino-2-phenyl-4-propyl-1,4-benzoxazin-3-one
CID 82022162
2-(6-fluoro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid
CID 82142720
2-(6-fluoro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-2-methylpropanoic acid
CID 82142784
propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate
CID 110831753
3-(2-aminoethyl)-5-phenyl-1,3-oxazolidine-2,4-dione
CID 45156473
4-(4-aminobutyl)-2-phenyl-1,4-benzoxazin-3-one
CID 82022144
6-fluoro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 126475484

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one (CID 82143059) is 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one is CC(CN)N1C(=O)C(c2ccccc2)Oc2ccc(F)cc21.
What is the InChIKey of 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one?
The InChIKey is OWCYFKTXMMEZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11(10-19)20-14-9-13(18)7-8-15(14)22-16(17(20)21)12-5-3-2-4-6-12/h2-9,11,16H,10,19H2,1H3.
What are the key properties of 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one?
4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one has a molecular weight of 300.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82143059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).