2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide

C11H12F3N5O2 — CID 154846277

IUPAC2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)c2nc(C(F)(F)F)n[nH]2)o1
InChIInChI=1S/C11H12F3N5O2/c1-4-7(21-6(3)15-4)9(20)16-5(2)8-17-10(19-18-8)11(12,13)14/h5H,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyYKRVLNNBHPNACH-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.92
Rot. Bonds3

About 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 154846277) has the molecular formula C11H12F3N5O2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide
PubChem CID154846277
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC Name2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)c2nc(C(F)(F)F)n[nH]2)o1
InChIInChI=1S/C11H12F3N5O2/c1-4-7(21-6(3)15-4)9(20)16-5(2)8-17-10(19-18-8)11(12,13)14/h5H,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyYKRVLNNBHPNACH-UHFFFAOYSA-N
XLogP1.92
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2-ethyl-4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-oxazole-5-carboxamide
CID 132376554
(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 164638204
2-cyclopropyl-N-[[3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 137953557
4-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 137975858
N-[2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 137982332
2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 56710815
2-ethyl-4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 56742629
2-(5-ethyl-1H-[1,2,4]triazol-3-ylmethyl)-4-methyl-oxazole-5-carboxylic acid amide
CID 57571563
2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 68801876
2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 68802537
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 50953307
2,4-dimethyl-N-(1H-1,2,4-triazol-5-yl)-1,3-oxazole-5-carboxamide
CID 79172804

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide (CID 154846277) is 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(C)c2nc(C(F)(F)F)n[nH]2)o1.
What is the InChIKey of 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is YKRVLNNBHPNACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c1-4-7(21-6(3)15-4)9(20)16-5(2)8-17-10(19-18-8)11(12,13)14/h5H,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 303.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 154846277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).