N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide

C14H15F3N4O3 — CID 166233801

IUPACN-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide
SMILESCc1ccc(-c2noc(C(C)NC(=O)CC(F)(F)F)n2)c(=O)n1C
InChIInChI=1S/C14H15F3N4O3/c1-7-4-5-9(13(23)21(7)3)11-19-12(24-20-11)8(2)18-10(22)6-14(15,16)17/h4-5,8H,6H2,1-3H3,(H,18,22)
InChIKeyWAZBBURFGOOTFW-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.87
Rot. Bonds4

About N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide

N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide (PubChem CID 166233801) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide
PubChem CID166233801
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC NameN-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide
SMILESCc1ccc(-c2noc(C(C)NC(=O)CC(F)(F)F)n2)c(=O)n1C
InChIInChI=1S/C14H15F3N4O3/c1-7-4-5-9(13(23)21(7)3)11-19-12(24-20-11)8(2)18-10(22)6-14(15,16)17/h4-5,8H,6H2,1-3H3,(H,18,22)
InChIKeyWAZBBURFGOOTFW-UHFFFAOYSA-N
XLogP1.87
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide (CID 166233801) is N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide is Cc1ccc(-c2noc(C(C)NC(=O)CC(F)(F)F)n2)c(=O)n1C.
What is the InChIKey of N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide?
The InChIKey is WAZBBURFGOOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-7-4-5-9(13(23)21(7)3)11-19-12(24-20-11)8(2)18-10(22)6-14(15,16)17/h4-5,8H,6H2,1-3H3,(H,18,22).
What are the key properties of N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide?
N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide has a molecular weight of 344.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,6-dimethyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 166233801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).