1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate

C15H13F6N3O3 — CID 71656625

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate
SMILESCc1nc(-c2cccc(CN(C)C(=O)OC(C(F)(F)F)C(F)(F)F)c2)no1
InChIInChI=1S/C15H13F6N3O3/c1-8-22-11(23-27-8)10-5-3-4-9(6-10)7-24(2)13(25)26-12(14(16,17)18)15(19,20)21/h3-6,12H,7H2,1-2H3
InChIKeyKURBQAQJRCDUTM-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.11
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate

1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate (PubChem CID 71656625) has the molecular formula C15H13F6N3O3 and a molecular weight of 397.28 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate
PubChem CID71656625
Molecular FormulaC15H13F6N3O3
Molecular Weight397.28 g/mol
Exact Mass397.09
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate
SMILESCc1nc(-c2cccc(CN(C)C(=O)OC(C(F)(F)F)C(F)(F)F)c2)no1
InChIInChI=1S/C15H13F6N3O3/c1-8-22-11(23-27-8)10-5-3-4-9(6-10)7-24(2)13(25)26-12(14(16,17)18)15(19,20)21/h3-6,12H,7H2,1-2H3
InChIKeyKURBQAQJRCDUTM-UHFFFAOYSA-N
XLogP4.11
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate (CID 71656625) is 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate is Cc1nc(-c2cccc(CN(C)C(=O)OC(C(F)(F)F)C(F)(F)F)c2)no1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate?
The InChIKey is KURBQAQJRCDUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N3O3/c1-8-22-11(23-27-8)10-5-3-4-9(6-10)7-24(2)13(25)26-12(14(16,17)18)15(19,20)21/h3-6,12H,7H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate?
1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate has a molecular weight of 397.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 71656625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).