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

C11H13F3N6O2 — CID 86286128

IUPACN-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESCN(CCc1noc(C(F)(F)F)n1)C(=O)CCn1cncn1
InChIInChI=1S/C11H13F3N6O2/c1-19(9(21)3-5-20-7-15-6-16-20)4-2-8-17-10(22-18-8)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyIRLJDSVDQZYJKB-UHFFFAOYSA-N
MW318.26 g/mol
LogP0.77
Rot. Bonds6

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

N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide (PubChem CID 86286128) has the molecular formula C11H13F3N6O2 and a molecular weight of 318.26 g/mol. Its IUPAC name is N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
PubChem CID86286128
Molecular FormulaC11H13F3N6O2
Molecular Weight318.26 g/mol
Exact Mass318.11
IUPAC NameN-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESCN(CCc1noc(C(F)(F)F)n1)C(=O)CCn1cncn1
InChIInChI=1S/C11H13F3N6O2/c1-19(9(21)3-5-20-7-15-6-16-20)4-2-8-17-10(22-18-8)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyIRLJDSVDQZYJKB-UHFFFAOYSA-N
XLogP0.77
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(5-Ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 72123768
1-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 72123920
1-[3-(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 72146989
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 46992879
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 72114166
3-(5-methyl-1H-tetrazol-1-yl)-N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide
CID 118769952
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 124216655
3-[[5-(Difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
CID 132970561
2-(1H-1,2,4-triazol-1-yl)-N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide
CID 90653243
(2S)-2-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99993735
(2R)-2-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99993739
2-(1H-tetrazol-1-yl)-N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl}acetamide
CID 129608635

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The IUPAC name of N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide (CID 86286128) is N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide.
What is the SMILES notation for N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The canonical SMILES for N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide is CN(CCc1noc(C(F)(F)F)n1)C(=O)CCn1cncn1.
What is the InChIKey of N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The InChIKey is IRLJDSVDQZYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O2/c1-19(9(21)3-5-20-7-15-6-16-20)4-2-8-17-10(22-18-8)11(12,13)14/h6-7H,2-5H2,1H3.
What are the key properties of N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide has a molecular weight of 318.26 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,4-triazol-1-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide is sourced from PubChem (CID 86286128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).