N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide

C12H15F3N2O2 — CID 75526262

IUPACN-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H15F3N2O2/c1-3-9-10(7(2)19-16-9)11(18)17(8-4-5-8)6-12(13,14)15/h8H,3-6H2,1-2H3
InChIKeyFWFRNNOJTJNBFG-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.71
Rot. Bonds4

About N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide

N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (PubChem CID 75526262) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
PubChem CID75526262
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H15F3N2O2/c1-3-9-10(7(2)19-16-9)11(18)17(8-4-5-8)6-12(13,14)15/h8H,3-6H2,1-2H3
InChIKeyFWFRNNOJTJNBFG-UHFFFAOYSA-N
XLogP2.71
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (CID 75526262) is N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is FWFRNNOJTJNBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-9-10(7(2)19-16-9)11(18)17(8-4-5-8)6-12(13,14)15/h8H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75526262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).