[3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate

C19H16ClF6N5O4 — CID 118936470

About [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate

[3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate (PubChem CID 118936470) has the molecular formula C19H16ClF6N5O4 and a molecular weight of 527.81 g/mol. Its IUPAC name is [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
• PubChem CID: 118936470
• Molecular Formula: C19H16ClF6N5O4
• Molecular Weight: 527.81 g/mol
• Exact Mass: 527.08
• IUPAC Name: [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
• SMILES: CC1(c2nc(NC(=O)Oc3ncc(OC(F)F)cc3Cl)ccc2F)COC(C)(C(F)(F)F)C(N)=N1
• InChI: InChI=1S/C19H16ClF6N5O4/c1-17(7-33-18(2,14(27)31-17)19(24,25)26)12-10(21)3-4-11(29-12)30-16(32)35-13-9(20)5-8(6-28-13)34-15(22)23/h3-6,15H,7H2,1-2H3,(H2,27,31)(H,29,30,32)
• InChIKey: FZAYYPRDOASHDF-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 120.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.81
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?

The IUPAC name of [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate (CID 118936470) is [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate.

What is the SMILES notation for [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?

The canonical SMILES for [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate is CC1(c2nc(NC(=O)Oc3ncc(OC(F)F)cc3Cl)ccc2F)COC(C)(C(F)(F)F)C(N)=N1.

What is the InChIKey of [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?

The InChIKey is FZAYYPRDOASHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF6N5O4/c1-17(7-33-18(2,14(27)31-17)19(24,25)26)12-10(21)3-4-11(29-12)30-16(32)35-13-9(20)5-8(6-28-13)34-15(22)23/h3-6,15H,7H2,1-2H3,(H2,27,31)(H,29,30,32).

What are the key properties of [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?

[3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate has a molecular weight of 527.81 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate is sourced from PubChem (CID 118936470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).