N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C15H23N5O3 — CID 70724046

IUPACN-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOCCc1noc(C(C)NC(=O)c2cc(C(C)C)nn2C)n1
InChIInChI=1S/C15H23N5O3/c1-9(2)11-8-12(20(4)18-11)14(21)16-10(3)15-17-13(19-23-15)6-7-22-5/h8-10H,6-7H2,1-5H3,(H,16,21)
InChIKeyUUWRECVUGYBSHI-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.61
Rot. Bonds7

About N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70724046) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70724046
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOCCc1noc(C(C)NC(=O)c2cc(C(C)C)nn2C)n1
InChIInChI=1S/C15H23N5O3/c1-9(2)11-8-12(20(4)18-11)14(21)16-10(3)15-17-13(19-23-15)6-7-22-5/h8-10H,6-7H2,1-5H3,(H,16,21)
InChIKeyUUWRECVUGYBSHI-UHFFFAOYSA-N
XLogP1.61
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 70724046) is N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is COCCc1noc(C(C)NC(=O)c2cc(C(C)C)nn2C)n1.
What is the InChIKey of N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is UUWRECVUGYBSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-9(2)11-8-12(20(4)18-11)14(21)16-10(3)15-17-13(19-23-15)6-7-22-5/h8-10H,6-7H2,1-5H3,(H,16,21).
What are the key properties of N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70724046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).