N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide

C18H24N8O2 — CID 127785698

IUPACN-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCCCCC2c2noc(-c3cnn(C)c3)n2)cn1
InChIInChI=1S/C18H24N8O2/c1-3-25-12-14(10-20-25)21-18(27)26-8-6-4-5-7-15(26)16-22-17(28-23-16)13-9-19-24(2)11-13/h9-12,15H,3-8H2,1-2H3,(H,21,27)
InChIKeyNCVCWLMCJBSUPG-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.84
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide

N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide (PubChem CID 127785698) has the molecular formula C18H24N8O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide
PubChem CID127785698
Molecular FormulaC18H24N8O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCCCCC2c2noc(-c3cnn(C)c3)n2)cn1
InChIInChI=1S/C18H24N8O2/c1-3-25-12-14(10-20-25)21-18(27)26-8-6-4-5-7-15(26)16-22-17(28-23-16)13-9-19-24(2)11-13/h9-12,15H,3-8H2,1-2H3,(H,21,27)
InChIKeyNCVCWLMCJBSUPG-UHFFFAOYSA-N
XLogP2.84
TPSA106.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide (CID 127785698) is N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide is CCn1cc(NC(=O)N2CCCCCC2c2noc(-c3cnn(C)c3)n2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide?
The InChIKey is NCVCWLMCJBSUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2/c1-3-25-12-14(10-20-25)21-18(27)26-8-6-4-5-7-15(26)16-22-17(28-23-16)13-9-19-24(2)11-13/h9-12,15H,3-8H2,1-2H3,(H,21,27).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide?
N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxamide is sourced from PubChem (CID 127785698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).