(5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine

C18H17F3N4O2 — CID 71585988

IUPAC(5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine
SMILESCOc1cccnc1Nc1ccc(F)c([C@@]2(C)N=C(N)COC2=C(F)F)c1
InChIInChI=1S/C18H17F3N4O2/c1-18(15(16(20)21)27-9-14(22)25-18)11-8-10(5-6-12(11)19)24-17-13(26-2)4-3-7-23-17/h3-8H,9H2,1-2H3,(H2,22,25)(H,23,24)/t18-/m1/s1
InChIKeyOUUZRPQDOFAPGM-GOSISDBHSA-N
MW378.35 g/mol
LogP3.68
Rot. Bonds4

About (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine

(5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine (PubChem CID 71585988) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine
PubChem CID71585988
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name(5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine
SMILESCOc1cccnc1Nc1ccc(F)c([C@@]2(C)N=C(N)COC2=C(F)F)c1
InChIInChI=1S/C18H17F3N4O2/c1-18(15(16(20)21)27-9-14(22)25-18)11-8-10(5-6-12(11)19)24-17-13(26-2)4-3-7-23-17/h3-8H,9H2,1-2H3,(H2,22,25)(H,23,24)/t18-/m1/s1
InChIKeyOUUZRPQDOFAPGM-GOSISDBHSA-N
XLogP3.68
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine 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

6-(difluoromethyl)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 78116834
(3R,6R)-3-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
CID 71550223
4-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-4-methyl-9-oxa-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
CID 78166632
(4S,6S)-4-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 90373428
(5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-2-methyl-2,5-dihydro-1,4-oxazin-3-amine
CID 121267456
(5R,6R)-5-[2-fluoro-5-[(3-methoxypyrazin-2-yl)amino]phenyl]-5-methyl-6-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 71586085
(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
(5R)-6,6-difluoro-5-[2-fluoro-5-(pyridin-3-ylamino)phenyl]-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine
CID 66547827
(1S,5S,6S)-5-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 90391030
(6S)-2-N'-(3-ethoxy-2-pyridinyl)-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,9'-xanthene]-2,2'-diamine
CID 89462025
N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547904
5-N-(4-fluoro-3-methoxyphenyl)quinoline-5,8-diamine
CID 114837272

Frequently Asked Questions

What is the IUPAC name of (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine?
The IUPAC name of (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine (CID 71585988) is (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine is COc1cccnc1Nc1ccc(F)c([C@@]2(C)N=C(N)COC2=C(F)F)c1.
What is the InChIKey of (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine?
The InChIKey is OUUZRPQDOFAPGM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-18(15(16(20)21)27-9-14(22)25-18)11-8-10(5-6-12(11)19)24-17-13(26-2)4-3-7-23-17/h3-8H,9H2,1-2H3,(H2,22,25)(H,23,24)/t18-/m1/s1.
What are the key properties of (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine?
(5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine has a molecular weight of 378.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-(difluoromethylidene)-5-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-5-methyl-2H-1,4-oxazin-3-amine is sourced from PubChem (CID 71585988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).