(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

C20H21ClFN3O — CID 70576999

IUPAC(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
SMILESC[C@@]1(c2cc(NC3CCc4cc(Cl)ccc43)ccc2F)COCC(N)=N1
InChIInChI=1S/C20H21ClFN3O/c1-20(11-26-10-19(23)25-20)16-9-14(4-6-17(16)22)24-18-7-2-12-8-13(21)3-5-15(12)18/h3-6,8-9,18,24H,2,7,10-11H2,1H3,(H2,23,25)/t18?,20-/m0/s1
InChIKeyIVCFPJIINVIDFL-IJHRGXPZSA-N
MW373.86 g/mol
LogP4.18
Rot. Bonds3

About (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

(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 (PubChem CID 70576999) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID70576999
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name(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
SMILESC[C@@]1(c2cc(NC3CCc4cc(Cl)ccc43)ccc2F)COCC(N)=N1
InChIInChI=1S/C20H21ClFN3O/c1-20(11-26-10-19(23)25-20)16-9-14(4-6-17(16)22)24-18-7-2-12-8-13(21)3-5-15(12)18/h3-6,8-9,18,24H,2,7,10-11H2,1H3,(H2,23,25)/t18?,20-/m0/s1
InChIKeyIVCFPJIINVIDFL-IJHRGXPZSA-N
XLogP4.18
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57412091
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107363987
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
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-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-5-bromo-3-methylpyridine-2-carboxamide
CID 50914977
(5R,6R)-5-[5-(cyclopentylamino)-2-fluorophenyl]-6-fluoro-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine
CID 54577799
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 133371686
(5R,6R)-6-fluoro-5-[2-fluoro-5-(oxan-4-ylamino)phenyl]-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine
CID 66547316
(5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 159326418
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@]1(c2cc(NC3CCc4cc(Cl)ccc43)ccc2F)COCC(N)=N1.
What is the InChIKey of (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?
The InChIKey is IVCFPJIINVIDFL-IJHRGXPZSA-N. The full InChI is InChI=1S/C20H21ClFN3O/c1-20(11-26-10-19(23)25-20)16-9-14(4-6-17(16)22)24-18-7-2-12-8-13(21)3-5-15(12)18/h3-6,8-9,18,24H,2,7,10-11H2,1H3,(H2,23,25)/t18?,20-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 373.86 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 70576999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).