(5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine

C18H19F3N4O2 — CID 71550219

IUPAC(5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine
SMILESCCOc1cccnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1
InChIInChI=1S/C18H19F3N4O2/c1-2-27-14-4-3-7-23-16(14)24-11-5-6-13(19)12(8-11)18(17(20)21)10-26-9-15(22)25-18/h3-8,17H,2,9-10H2,1H3,(H2,22,25)(H,23,24)/t18-/m0/s1
InChIKeyDXSUWZXOEJTTEK-SFHVURJKSA-N
MW380.37 g/mol
LogP3.21
Rot. Bonds6

About (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine

(5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 71550219) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID71550219
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine
SMILESCCOc1cccnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1
InChIInChI=1S/C18H19F3N4O2/c1-2-27-14-4-3-7-23-16(14)24-11-5-6-13(19)12(8-11)18(17(20)21)10-26-9-15(22)25-18/h3-8,17H,2,9-10H2,1H3,(H2,22,25)(H,23,24)/t18-/m0/s1
InChIKeyDXSUWZXOEJTTEK-SFHVURJKSA-N
XLogP3.21
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine (CID 71550219) is (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine is CCOc1cccnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1.
What is the InChIKey of (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is DXSUWZXOEJTTEK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-2-27-14-4-3-7-23-16(14)24-11-5-6-13(19)12(8-11)18(17(20)21)10-26-9-15(22)25-18/h3-8,17H,2,9-10H2,1H3,(H2,22,25)(H,23,24)/t18-/m0/s1.
What are the key properties of (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 380.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(difluoromethyl)-5-[5-[(3-ethoxy-2-pyridinyl)amino]-2-fluorophenyl]-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 71550219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).