(5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate

C18H20F3N3O4 — CID 121300114

IUPAC(5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
SMILESCc1ocnc1OC(=O)Nc1cnc(OCC(F)(F)F)c(C2CCCCC2)c1
InChIInChI=1S/C18H20F3N3O4/c1-11-15(23-10-27-11)28-17(25)24-13-7-14(12-5-3-2-4-6-12)16(22-8-13)26-9-18(19,20)21/h7-8,10,12H,2-6,9H2,1H3,(H,24,25)
InChIKeyWBOXWSJZUOQBFT-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.98
Rot. Bonds5

About (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate

(5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate (PubChem CID 121300114) has the molecular formula C18H20F3N3O4 and a molecular weight of 399.37 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
PubChem CID121300114
Molecular FormulaC18H20F3N3O4
Molecular Weight399.37 g/mol
Exact Mass399.14
IUPAC Name(5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
SMILESCc1ocnc1OC(=O)Nc1cnc(OCC(F)(F)F)c(C2CCCCC2)c1
InChIInChI=1S/C18H20F3N3O4/c1-11-15(23-10-27-11)28-17(25)24-13-7-14(12-5-3-2-4-6-12)16(22-8-13)26-9-18(19,20)21/h7-8,10,12H,2-6,9H2,1H3,(H,24,25)
InChIKeyWBOXWSJZUOQBFT-UHFFFAOYSA-N
XLogP4.98
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The IUPAC name of (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate (CID 121300114) is (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate.
What is the SMILES notation for (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The canonical SMILES for (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate is Cc1ocnc1OC(=O)Nc1cnc(OCC(F)(F)F)c(C2CCCCC2)c1.
What is the InChIKey of (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The InChIKey is WBOXWSJZUOQBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4/c1-11-15(23-10-27-11)28-17(25)24-13-7-14(12-5-3-2-4-6-12)16(22-8-13)26-9-18(19,20)21/h7-8,10,12H,2-6,9H2,1H3,(H,24,25).
What are the key properties of (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
(5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate has a molecular weight of 399.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-4-yl) N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate is sourced from PubChem (CID 121300114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).