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

C19H15ClF7N5O3 — CID 118936509

IUPAC[3-chloro-5-(trifluoromethyl)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
SMILESCC1(c2nc(NC(=O)Oc3ncc(C(F)(F)F)cc3Cl)ccc2F)COC(C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H15ClF7N5O3/c1-16(7-34-17(2,14(28)32-16)19(25,26)27)12-10(21)3-4-11(30-12)31-15(33)35-13-9(20)5-8(6-29-13)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)
InChIKeyISECNNZTRCEDBO-UHFFFAOYSA-N
MW529.80 g/mol
LogP4.82
Rot. Bonds3

About [3-chloro-5-(trifluoromethyl)-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-(trifluoromethyl)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate (PubChem CID 118936509) has the molecular formula C19H15ClF7N5O3 and a molecular weight of 529.80 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)-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-(trifluoromethyl)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
PubChem CID118936509
Molecular FormulaC19H15ClF7N5O3
Molecular Weight529.80 g/mol
Exact Mass529.08
IUPAC Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
SMILESCC1(c2nc(NC(=O)Oc3ncc(C(F)(F)F)cc3Cl)ccc2F)COC(C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H15ClF7N5O3/c1-16(7-34-17(2,14(28)32-16)19(25,26)27)12-10(21)3-4-11(30-12)31-15(33)35-13-9(20)5-8(6-29-13)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)
InChIKeyISECNNZTRCEDBO-UHFFFAOYSA-N
XLogP4.82
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.80
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(trifluoromethyl)-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-(trifluoromethyl)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate (CID 118936509) is [3-chloro-5-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-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(C(F)(F)F)cc3Cl)ccc2F)COC(C)(C(F)(F)F)C(N)=N1.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)-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 ISECNNZTRCEDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF7N5O3/c1-16(7-34-17(2,14(28)32-16)19(25,26)27)12-10(21)3-4-11(30-12)31-15(33)35-13-9(20)5-8(6-29-13)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33).
What are the key properties of [3-chloro-5-(trifluoromethyl)-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-(trifluoromethyl)-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 529.80 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(trifluoromethyl)-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 118936509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).