(4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine

C16H12ClF3N2O — CID 141348881

IUPAC(4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine
SMILESFc1ccc(-c2cncc(Cl)c2)cc1[C@]1(C(F)F)CCOC=N1
InChIInChI=1S/C16H12ClF3N2O/c17-12-5-11(7-21-8-12)10-1-2-14(18)13(6-10)16(15(19)20)3-4-23-9-22-16/h1-2,5-9,15H,3-4H2/t16-/m0/s1
InChIKeyWEQYPWAWRWTBNX-INIZCTEOSA-N
MW340.73 g/mol
LogP4.45
Rot. Bonds3

About (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine

(4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine (PubChem CID 141348881) has the molecular formula C16H12ClF3N2O and a molecular weight of 340.73 g/mol. Its IUPAC name is (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name(4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine
PubChem CID141348881
Molecular FormulaC16H12ClF3N2O
Molecular Weight340.73 g/mol
Exact Mass340.06
IUPAC Name(4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine
SMILESFc1ccc(-c2cncc(Cl)c2)cc1[C@]1(C(F)F)CCOC=N1
InChIInChI=1S/C16H12ClF3N2O/c17-12-5-11(7-21-8-12)10-1-2-14(18)13(6-10)16(15(19)20)3-4-23-9-22-16/h1-2,5-9,15H,3-4H2/t16-/m0/s1
InChIKeyWEQYPWAWRWTBNX-INIZCTEOSA-N
XLogP4.45
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine 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

(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine
CID 71014719
(5R)-5-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6,6-difluoro-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine
CID 66558613
5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine
CID 171927170
5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-3-amine
CID 67979131
3-chloro-5-(3,5-dichlorophenyl)pyridine
CID 133088482
4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole
CID 154720157
6'-(5-Chloropyridin-3-yl)-4-(difluoromethyl)-5-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 86692168
5-(4-chlorophenyl)-3-(5-chloro-3-pyridinyl)-1,2-oxazole
CID 44545539
[3-[(5S)-3-amino-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]azanide
CID 154495850
7-(5-chloro-3-pyridinyl)-2,2-difluorospiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-oxazole]-2'-amine
CID 67950034
6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 57386149
[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine
CID 157052701

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine?
The IUPAC name of (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine (CID 141348881) is (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine?
The canonical SMILES for (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine is Fc1ccc(-c2cncc(Cl)c2)cc1[C@]1(C(F)F)CCOC=N1.
What is the InChIKey of (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine?
The InChIKey is WEQYPWAWRWTBNX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12ClF3N2O/c17-12-5-11(7-21-8-12)10-1-2-14(18)13(6-10)16(15(19)20)3-4-23-9-22-16/h1-2,5-9,15H,3-4H2/t16-/m0/s1.
What are the key properties of (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine?
(4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine has a molecular weight of 340.73 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 141348881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).