5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide

C13H19N5O2 — CID 122568494

IUPAC5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC(CC(C)C)c1ncnn1C
InChIInChI=1S/C13H19N5O2/c1-8(2)5-10(12-14-6-16-18(12)4)17-13(19)11-9(3)20-7-15-11/h6-8,10H,5H2,1-4H3,(H,17,19)
InChIKeyXZOZTCAPAKNBAJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.63
Rot. Bonds5

About 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide (PubChem CID 122568494) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
PubChem CID122568494
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC(CC(C)C)c1ncnn1C
InChIInChI=1S/C13H19N5O2/c1-8(2)5-10(12-14-6-16-18(12)4)17-13(19)11-9(3)20-7-15-11/h6-8,10H,5H2,1-4H3,(H,17,19)
InChIKeyXZOZTCAPAKNBAJ-UHFFFAOYSA-N
XLogP1.63
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291
1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide
CID 126446161
2-methoxy-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidine-5-carboxamide
CID 126444842
2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
CID 122560144
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70737249
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 119587854
2,4-dimethyl-5-[[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]carbamoyl]-1H-pyrrole-3-carboxylic acid
CID 124852108
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide
CID 50980294
2-amino-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443480
2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443478
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide
CID 125437324

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide (CID 122568494) is 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC(CC(C)C)c1ncnn1C.
What is the InChIKey of 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XZOZTCAPAKNBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)5-10(12-14-6-16-18(12)4)17-13(19)11-9(3)20-7-15-11/h6-8,10H,5H2,1-4H3,(H,17,19).
What are the key properties of 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122568494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).