N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide

C15H17F2N3O2 — CID 66558859

IUPACN-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide
SMILESC[C@]1(c2cc(NC(=O)C3CC3)ccc2F)N=C(N)OC[C@@H]1F
InChIInChI=1S/C15H17F2N3O2/c1-15(12(17)7-22-14(18)20-15)10-6-9(4-5-11(10)16)19-13(21)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H2,18,20)(H,19,21)/t12-,15+/m0/s1
InChIKeyINWRFXBKLBWURP-SWLSCSKDSA-N
MW309.32 g/mol
LogP2.07
Rot. Bonds3

About N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide

N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide (PubChem CID 66558859) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide
PubChem CID66558859
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide
SMILESC[C@]1(c2cc(NC(=O)C3CC3)ccc2F)N=C(N)OC[C@@H]1F
InChIInChI=1S/C15H17F2N3O2/c1-15(12(17)7-22-14(18)20-15)10-6-9(4-5-11(10)16)19-13(21)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H2,18,20)(H,19,21)/t12-,15+/m0/s1
InChIKeyINWRFXBKLBWURP-SWLSCSKDSA-N
XLogP2.07
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide (CID 66558859) is N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide is C[C@]1(c2cc(NC(=O)C3CC3)ccc2F)N=C(N)OC[C@@H]1F.
What is the InChIKey of N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide?
The InChIKey is INWRFXBKLBWURP-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-15(12(17)7-22-14(18)20-15)10-6-9(4-5-11(10)16)19-13(21)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H2,18,20)(H,19,21)/t12-,15+/m0/s1.
What are the key properties of N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide?
N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 66558859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).