[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate

C18H21F3N4O4 — CID 121347104

IUPAC[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
SMILESCc1nc(C(C)(C)NC(=O)Oc2ccc(C3CC3)c(OC(C)C(F)(F)F)n2)no1
InChIInChI=1S/C18H21F3N4O4/c1-9(18(19,20)21)27-14-12(11-5-6-11)7-8-13(23-14)28-16(26)24-17(3,4)15-22-10(2)29-25-15/h7-9,11H,5-6H2,1-4H3,(H,24,26)
InChIKeyGSXZRRYTAOQSND-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.00
Rot. Bonds6

About [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate

[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate (PubChem CID 121347104) has the molecular formula C18H21F3N4O4 and a molecular weight of 414.38 g/mol. Its IUPAC name is [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
PubChem CID121347104
Molecular FormulaC18H21F3N4O4
Molecular Weight414.38 g/mol
Exact Mass414.15
IUPAC Name[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
SMILESCc1nc(C(C)(C)NC(=O)Oc2ccc(C3CC3)c(OC(C)C(F)(F)F)n2)no1
InChIInChI=1S/C18H21F3N4O4/c1-9(18(19,20)21)27-14-12(11-5-6-11)7-8-13(23-14)28-16(26)24-17(3,4)15-22-10(2)29-25-15/h7-9,11H,5-6H2,1-4H3,(H,24,26)
InChIKeyGSXZRRYTAOQSND-UHFFFAOYSA-N
XLogP4.00
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
The IUPAC name of [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate (CID 121347104) is [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate is Cc1nc(C(C)(C)NC(=O)Oc2ccc(C3CC3)c(OC(C)C(F)(F)F)n2)no1.
What is the InChIKey of [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
The InChIKey is GSXZRRYTAOQSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O4/c1-9(18(19,20)21)27-14-12(11-5-6-11)7-8-13(23-14)28-16(26)24-17(3,4)15-22-10(2)29-25-15/h7-9,11H,5-6H2,1-4H3,(H,24,26).
What are the key properties of [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate?
[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate has a molecular weight of 414.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 121347104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).