N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide

C16H15N5O4 — CID 16952232

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)nn1C
InChIInChI=1S/C16H15N5O4/c1-9-7-11(20-21(9)2)14(22)17-16-19-18-15(25-16)10-3-4-12-13(8-10)24-6-5-23-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,19,22)
InChIKeyNJHMRUNJASYTIV-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.80
Rot. Bonds3

About N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952232) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID16952232
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)nn1C
InChIInChI=1S/C16H15N5O4/c1-9-7-11(20-21(9)2)14(22)17-16-19-18-15(25-16)10-3-4-12-13(8-10)24-6-5-23-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,19,22)
InChIKeyNJHMRUNJASYTIV-UHFFFAOYSA-N
XLogP1.80
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 16952232) is N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)nn1C.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NJHMRUNJASYTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c1-9-7-11(20-21(9)2)14(22)17-16-19-18-15(25-16)10-3-4-12-13(8-10)24-6-5-23-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,19,22).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).