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

C17H15F5N4O2 — CID 71550368

IUPAC(5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=N[C@@](c2cc(Nc3ncccc3OC(F)F)ccc2F)(C(F)F)COC1
InChIInChI=1S/C17H15F5N4O2/c18-11-4-3-9(25-14-12(28-16(21)22)2-1-5-24-14)6-10(11)17(15(19)20)8-27-7-13(23)26-17/h1-6,15-16H,7-8H2,(H2,23,26)(H,24,25)/t17-/m0/s1
InChIKeyDIRLKEDRYQRESC-KRWDZBQOSA-N
MW402.32 g/mol
LogP3.41
Rot. Bonds6

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

(5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 71550368) has the molecular formula C17H15F5N4O2 and a molecular weight of 402.32 g/mol. Its IUPAC name is (5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID71550368
Molecular FormulaC17H15F5N4O2
Molecular Weight402.32 g/mol
Exact Mass402.11
IUPAC Name(5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=N[C@@](c2cc(Nc3ncccc3OC(F)F)ccc2F)(C(F)F)COC1
InChIInChI=1S/C17H15F5N4O2/c18-11-4-3-9(25-14-12(28-16(21)22)2-1-5-24-14)6-10(11)17(15(19)20)8-27-7-13(23)26-17/h1-6,15-16H,7-8H2,(H2,23,26)(H,24,25)/t17-/m0/s1
InChIKeyDIRLKEDRYQRESC-KRWDZBQOSA-N
XLogP3.41
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (CID 71550368) is (5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is NC1=N[C@@](c2cc(Nc3ncccc3OC(F)F)ccc2F)(C(F)F)COC1.
What is the InChIKey of (5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is DIRLKEDRYQRESC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15F5N4O2/c18-11-4-3-9(25-14-12(28-16(21)22)2-1-5-24-14)6-10(11)17(15(19)20)8-27-7-13(23)26-17/h1-6,15-16H,7-8H2,(H2,23,26)(H,24,25)/t17-/m0/s1.
What are the key properties of (5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 402.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[5-[[3-(difluoromethoxy)-2-pyridinyl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 71550368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).