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

C15H23N5O2 — CID 70741674

IUPACN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(CC(C)C)c2ncnn2C)no1
InChIInChI=1S/C15H23N5O2/c1-5-6-11-8-13(19-22-11)15(21)18-12(7-10(2)3)14-16-9-17-20(14)4/h8-10,12H,5-7H2,1-4H3,(H,18,21)
InChIKeyXWFBVCCLLPQBKM-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.27
Rot. Bonds7

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

N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 70741674) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID70741674
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(CC(C)C)c2ncnn2C)no1
InChIInChI=1S/C15H23N5O2/c1-5-6-11-8-13(19-22-11)15(21)18-12(7-10(2)3)14-16-9-17-20(14)4/h8-10,12H,5-7H2,1-4H3,(H,18,21)
InChIKeyXWFBVCCLLPQBKM-UHFFFAOYSA-N
XLogP2.27
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 70741674) is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NC(CC(C)C)c2ncnn2C)no1.
What is the InChIKey of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is XWFBVCCLLPQBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-5-6-11-8-13(19-22-11)15(21)18-12(7-10(2)3)14-16-9-17-20(14)4/h8-10,12H,5-7H2,1-4H3,(H,18,21).
What are the key properties of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70741674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).