2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide

C18H19F4N3O3 — CID 86342442

IUPAC2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide
SMILESCc1c(C(N)=O)nc2n1CC(COc1ccc(C(C)(C)C(F)(F)F)c(F)c1)O2
InChIInChI=1S/C18H19F4N3O3/c1-9-14(15(23)26)24-16-25(9)7-11(28-16)8-27-10-4-5-12(13(19)6-10)17(2,3)18(20,21)22/h4-6,11H,7-8H2,1-3H3,(H2,23,26)
InChIKeyHRTNAYRNRMLZPH-UHFFFAOYSA-N
MW401.36 g/mol
LogP3.11
Rot. Bonds5

About 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide

2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide (PubChem CID 86342442) has the molecular formula C18H19F4N3O3 and a molecular weight of 401.36 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide
PubChem CID86342442
Molecular FormulaC18H19F4N3O3
Molecular Weight401.36 g/mol
Exact Mass401.14
IUPAC Name2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide
SMILESCc1c(C(N)=O)nc2n1CC(COc1ccc(C(C)(C)C(F)(F)F)c(F)c1)O2
InChIInChI=1S/C18H19F4N3O3/c1-9-14(15(23)26)24-16-25(9)7-11(28-16)8-27-10-4-5-12(13(19)6-10)17(2,3)18(20,21)22/h4-6,11H,7-8H2,1-3H3,(H2,23,26)
InChIKeyHRTNAYRNRMLZPH-UHFFFAOYSA-N
XLogP3.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide (CID 86342442) is 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide is Cc1c(C(N)=O)nc2n1CC(COc1ccc(C(C)(C)C(F)(F)F)c(F)c1)O2.
What is the InChIKey of 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is HRTNAYRNRMLZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O3/c1-9-14(15(23)26)24-16-25(9)7-11(28-16)8-27-10-4-5-12(13(19)6-10)17(2,3)18(20,21)22/h4-6,11H,7-8H2,1-3H3,(H2,23,26).
What are the key properties of 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide?
2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 401.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 86342442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).