N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide

C12H17N5O3 — CID 91907308

IUPACN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCc1nc(CCNC(=O)c2cc(C)n(C)n2)no1
InChIInChI=1S/C12H17N5O3/c1-8-6-9(15-17(8)2)12(18)13-5-4-10-14-11(7-19-3)20-16-10/h6H,4-5,7H2,1-3H3,(H,13,18)
InChIKeyFZSLHAJOCQDYCO-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.23
Rot. Bonds6

About N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide

N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 91907308) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID91907308
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCc1nc(CCNC(=O)c2cc(C)n(C)n2)no1
InChIInChI=1S/C12H17N5O3/c1-8-6-9(15-17(8)2)12(18)13-5-4-10-14-11(7-19-3)20-16-10/h6H,4-5,7H2,1-3H3,(H,13,18)
InChIKeyFZSLHAJOCQDYCO-UHFFFAOYSA-N
XLogP0.23
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide (CID 91907308) is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide is COCc1nc(CCNC(=O)c2cc(C)n(C)n2)no1.
What is the InChIKey of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is FZSLHAJOCQDYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-8-6-9(15-17(8)2)12(18)13-5-4-10-14-11(7-19-3)20-16-10/h6H,4-5,7H2,1-3H3,(H,13,18).
What are the key properties of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 91907308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).