1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone

C14H14FN3O3 — CID 124619369

IUPAC1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1nnc(CC(=O)N2C[C@@H](C)Oc3c(F)cccc32)o1
InChIInChI=1S/C14H14FN3O3/c1-8-7-18(11-5-3-4-10(15)14(11)20-8)13(19)6-12-17-16-9(2)21-12/h3-5,8H,6-7H2,1-2H3/t8-/m1/s1
InChIKeyQVKAGSVGMUDFRF-MRVPVSSYSA-N
MW291.28 g/mol
LogP1.87
Rot. Bonds2

About 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone

1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone (PubChem CID 124619369) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
PubChem CID124619369
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1nnc(CC(=O)N2C[C@@H](C)Oc3c(F)cccc32)o1
InChIInChI=1S/C14H14FN3O3/c1-8-7-18(11-5-3-4-10(15)14(11)20-8)13(19)6-12-17-16-9(2)21-12/h3-5,8H,6-7H2,1-2H3/t8-/m1/s1
InChIKeyQVKAGSVGMUDFRF-MRVPVSSYSA-N
XLogP1.87
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 126795372
1-[(2R)-8-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 99829268
[(2S)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 99822617
1-(8-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-3-fluorobutan-1-one
CID 166309118
1-[(2S)-8-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 99829279
3-[4-[(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]propanoic acid
CID 146076103
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 124619662
2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 51065346
3,3,3-trifluoro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 166201745
2-chloro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880552
8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 120849021
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110333640

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The IUPAC name of 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone (CID 124619369) is 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone.
What is the SMILES notation for 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The canonical SMILES for 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone is Cc1nnc(CC(=O)N2C[C@@H](C)Oc3c(F)cccc32)o1.
What is the InChIKey of 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The InChIKey is QVKAGSVGMUDFRF-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-8-7-18(11-5-3-4-10(15)14(11)20-8)13(19)6-12-17-16-9(2)21-12/h3-5,8H,6-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone has a molecular weight of 291.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone is sourced from PubChem (CID 124619369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).