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

C19H25F2N3O3 — CID 67763701

IUPACN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide
SMILESC[C@@]1(c2cc(NC(=O)C(CF)CC3CCCO3)ccc2F)COCC(N)=N1
InChIInChI=1S/C19H25F2N3O3/c1-19(11-26-10-17(22)24-19)15-8-13(4-5-16(15)21)23-18(25)12(9-20)7-14-3-2-6-27-14/h4-5,8,12,14H,2-3,6-7,9-11H2,1H3,(H2,22,24)(H,23,25)/t12?,14?,19-/m0/s1
InChIKeyIYDABBIDCLTNMC-JSORRYRYSA-N
MW381.42 g/mol
LogP2.52
Rot. Bonds6

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

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide (PubChem CID 67763701) has the molecular formula C19H25F2N3O3 and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide
PubChem CID67763701
Molecular FormulaC19H25F2N3O3
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide
SMILESC[C@@]1(c2cc(NC(=O)C(CF)CC3CCCO3)ccc2F)COCC(N)=N1
InChIInChI=1S/C19H25F2N3O3/c1-19(11-26-10-17(22)24-19)15-8-13(4-5-16(15)21)23-18(25)12(9-20)7-14-3-2-6-27-14/h4-5,8,12,14H,2-3,6-7,9-11H2,1H3,(H2,22,24)(H,23,25)/t12?,14?,19-/m0/s1
InChIKeyIYDABBIDCLTNMC-JSORRYRYSA-N
XLogP2.52
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-2-one
CID 58155319
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 122195837
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 54579581
2-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(3,3-difluorocyclobutyl)ethanone
CID 58155251
(5R)-5-[5-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 70576999
1-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-4,4,4-trifluorobutan-2-one
CID 58155294
(5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 159326418
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 54576280
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoro-3-methylpyridine-2-carboxamide
CID 162589759
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 50914687
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 66666032

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide (CID 67763701) is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide is C[C@@]1(c2cc(NC(=O)C(CF)CC3CCCO3)ccc2F)COCC(N)=N1.
What is the InChIKey of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is IYDABBIDCLTNMC-JSORRYRYSA-N. The full InChI is InChI=1S/C19H25F2N3O3/c1-19(11-26-10-17(22)24-19)15-8-13(4-5-16(15)21)23-18(25)12(9-20)7-14-3-2-6-27-14/h4-5,8,12,14H,2-3,6-7,9-11H2,1H3,(H2,22,24)(H,23,25)/t12?,14?,19-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide?
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 381.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 67763701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).