6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide

C26H25N5O4 — CID 45165906

IUPAC6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CC12CCN(C(=O)Cn1c(=O)oc3ccccc31)CC2
InChIInChI=1S/C26H25N5O4/c32-23(17-30-21-4-1-2-5-22(21)35-25(30)34)29-14-10-26(11-15-29)16-20(26)24(33)28-18-6-8-19(9-7-18)31-13-3-12-27-31/h1-9,12-13,20H,10-11,14-17H2,(H,28,33)
InChIKeyXKCHFKBRXXSWIQ-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.05
Rot. Bonds5

About 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide

6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45165906) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45165906
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CC12CCN(C(=O)Cn1c(=O)oc3ccccc31)CC2
InChIInChI=1S/C26H25N5O4/c32-23(17-30-21-4-1-2-5-22(21)35-25(30)34)29-14-10-26(11-15-29)16-20(26)24(33)28-18-6-8-19(9-7-18)31-13-3-12-27-31/h1-9,12-13,20H,10-11,14-17H2,(H,28,33)
InChIKeyXKCHFKBRXXSWIQ-UHFFFAOYSA-N
XLogP3.05
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(4-pyrazol-1-ylphenyl)-6-(2-pyridin-4-ylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42359216
(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 124701403
N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45208768
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907341
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576
3-(2-oxo-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethyl)-1,3-benzoxazol-2-one
CID 90565722
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
(2R)-N-(3,5-dimethylphenyl)-6-(2-imidazol-1-ylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42431804
3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 91780343
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309788
3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 71786887

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45165906) is 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)C1CC12CCN(C(=O)Cn1c(=O)oc3ccccc31)CC2.
What is the InChIKey of 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is XKCHFKBRXXSWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c32-23(17-30-21-4-1-2-5-22(21)35-25(30)34)29-14-10-26(11-15-29)16-20(26)24(33)28-18-6-8-19(9-7-18)31-13-3-12-27-31/h1-9,12-13,20H,10-11,14-17H2,(H,28,33).
What are the key properties of 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45165906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).