N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C15H20F3N5O2 — CID 90652311

IUPACN-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)N(C)CCc2noc(C(F)(F)F)n2)c(C)c1C
InChIInChI=1S/C15H20F3N5O2/c1-9-10(2)20-23(11(9)3)8-6-13(24)22(4)7-5-12-19-14(25-21-12)15(16,17)18/h5-8H2,1-4H3
InChIKeyKJAUTOGUWYKQRL-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.30
Rot. Bonds6

About N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 90652311) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID90652311
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC NameN-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)N(C)CCc2noc(C(F)(F)F)n2)c(C)c1C
InChIInChI=1S/C15H20F3N5O2/c1-9-10(2)20-23(11(9)3)8-6-13(24)22(4)7-5-12-19-14(25-21-12)15(16,17)18/h5-8H2,1-4H3
InChIKeyKJAUTOGUWYKQRL-UHFFFAOYSA-N
XLogP2.30
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 90652311) is N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)N(C)CCc2noc(C(F)(F)F)n2)c(C)c1C.
What is the InChIKey of N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is KJAUTOGUWYKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2/c1-9-10(2)20-23(11(9)3)8-6-13(24)22(4)7-5-12-19-14(25-21-12)15(16,17)18/h5-8H2,1-4H3.
What are the key properties of N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 359.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 90652311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).