7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

C21H26N4O4 — CID 3233176

IUPAC7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)cc1
InChIInChI=1S/C21H26N4O4/c1-14-18(15(2)29-23-14)19(26)24-10-8-21(9-11-24)12-25(13-21)20(27)22-16-4-6-17(28-3)7-5-16/h4-7H,8-13H2,1-3H3,(H,22,27)
InChIKeyZZLDYKGHYJAXRN-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.07
Rot. Bonds3

About 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 3233176) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID3233176
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)cc1
InChIInChI=1S/C21H26N4O4/c1-14-18(15(2)29-23-14)19(26)24-10-8-21(9-11-24)12-25(13-21)20(27)22-16-4-6-17(28-3)7-5-16/h4-7H,8-13H2,1-3H3,(H,22,27)
InChIKeyZZLDYKGHYJAXRN-UHFFFAOYSA-N
XLogP3.07
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 3233176) is 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)cc1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is ZZLDYKGHYJAXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-14-18(15(2)29-23-14)19(26)24-10-8-21(9-11-24)12-25(13-21)20(27)22-16-4-6-17(28-3)7-5-16/h4-7H,8-13H2,1-3H3,(H,22,27).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 3233176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).