[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine

C18H19ClF3N4O2- — CID 157052701

IUPAC[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine
SMILESCOCc1cncc(Cl)c1.[NH-]c1ccc(F)c(C2(C(F)F)COCC(N)=N2)c1
InChIInChI=1S/C11H11F3N3O.C7H8ClNO/c12-8-2-1-6(15)3-7(8)11(10(13)14)5-18-4-9(16)17-11;1-10-5-6-2-7(8)4-9-3-6/h1-3,10,15H,4-5H2,(H2,16,17);2-4H,5H2,1H3/q-1;
InChIKeyAAJXKTCHZRMATD-UHFFFAOYSA-N
MW415.82 g/mol
LogP4.24
Rot. Bonds4

About [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine

[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine (PubChem CID 157052701) has the molecular formula C18H19ClF3N4O2- and a molecular weight of 415.82 g/mol. Its IUPAC name is [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine.

Molecular Properties

Compound Name[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine
PubChem CID157052701
Molecular FormulaC18H19ClF3N4O2-
Molecular Weight415.82 g/mol
Exact Mass415.12
IUPAC Name[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine
SMILESCOCc1cncc(Cl)c1.[NH-]c1ccc(F)c(C2(C(F)F)COCC(N)=N2)c1
InChIInChI=1S/C11H11F3N3O.C7H8ClNO/c12-8-2-1-6(15)3-7(8)11(10(13)14)5-18-4-9(16)17-11;1-10-5-6-2-7(8)4-9-3-6/h1-3,10,15H,4-5H2,(H2,16,17);2-4H,5H2,1H3/q-1;
InChIKeyAAJXKTCHZRMATD-UHFFFAOYSA-N
XLogP4.24
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine
CID 171927170
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloro-3-(methoxymethyl)pyridine-2-carboxamide
CID 70374609
[3-[(5S)-3-amino-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]azanide
CID 154495850
2-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloropyrazin-2-yl)ethanone
CID 58118845
3-[(3S)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide;hydrochloride
CID 67979246
5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 66665494
2-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone
CID 58118847
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 66666032
[5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine
CID 158221883
5-[5-[[3-(5-chloropyrazin-2-yl)oxiran-2-yl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 123223134
(5R)-5-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-5-nitro-2-pyridinyl)amino]phenyl]-2,6-dihydro-1,4-oxazin-3-amine
CID 71550224
N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyrazine-2-carboxamide
CID 87096366

Frequently Asked Questions

What is the IUPAC name of [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine?
The IUPAC name of [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine (CID 157052701) is [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine.
What is the SMILES notation for [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine?
The canonical SMILES for [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine is COCc1cncc(Cl)c1.[NH-]c1ccc(F)c(C2(C(F)F)COCC(N)=N2)c1.
What is the InChIKey of [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine?
The InChIKey is AAJXKTCHZRMATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N3O.C7H8ClNO/c12-8-2-1-6(15)3-7(8)11(10(13)14)5-18-4-9(16)17-11;1-10-5-6-2-7(8)4-9-3-6/h1-3,10,15H,4-5H2,(H2,16,17);2-4H,5H2,1H3/q-1;.
What are the key properties of [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine?
[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine has a molecular weight of 415.82 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine is sourced from PubChem (CID 157052701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).