N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C15H17F3N4O2 — CID 136513426

IUPACN-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N(CC(F)(F)F)C1CCC1
InChIInChI=1S/C15H17F3N4O2/c1-9-12(20-13(24-9)10-6-19-21(2)7-10)14(23)22(8-15(16,17)18)11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3
InChIKeyNVZYZSKMYQZTHR-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.94
Rot. Bonds4

About N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 136513426) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
PubChem CID136513426
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC NameN-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N(CC(F)(F)F)C1CCC1
InChIInChI=1S/C15H17F3N4O2/c1-9-12(20-13(24-9)10-6-19-21(2)7-10)14(23)22(8-15(16,17)18)11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3
InChIKeyNVZYZSKMYQZTHR-UHFFFAOYSA-N
XLogP2.94
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 136513426) is N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CC(F)(F)F)C1CCC1.
What is the InChIKey of N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NVZYZSKMYQZTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-9-12(20-13(24-9)10-6-19-21(2)7-10)14(23)22(8-15(16,17)18)11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3.
What are the key properties of N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 136513426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).