7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione

C22H23N5O4 — CID 53374960

IUPAC7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(O)c3)C3(CCC3)C2=O)cn1
InChIInChI=1S/C22H23N5O4/c1-14-19(15(2)31-24-14)13-25-12-17(10-23-25)27-20(29)22(7-4-8-22)26(21(27)30)11-16-5-3-6-18(28)9-16/h3,5-6,9-10,12,28H,4,7-8,11,13H2,1-2H3
InChIKeyVEHIOAZRSBAPFI-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.13
Rot. Bonds5

About 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione

7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 53374960) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID53374960
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(O)c3)C3(CCC3)C2=O)cn1
InChIInChI=1S/C22H23N5O4/c1-14-19(15(2)31-24-14)13-25-12-17(10-23-25)27-20(29)22(7-4-8-22)26(21(27)30)11-16-5-3-6-18(28)9-16/h3,5-6,9-10,12,28H,4,7-8,11,13H2,1-2H3
InChIKeyVEHIOAZRSBAPFI-UHFFFAOYSA-N
XLogP3.13
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione (CID 53374960) is 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(O)c3)C3(CCC3)C2=O)cn1.
What is the InChIKey of 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is VEHIOAZRSBAPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-14-19(15(2)31-24-14)13-25-12-17(10-23-25)27-20(29)22(7-4-8-22)26(21(27)30)11-16-5-3-6-18(28)9-16/h3,5-6,9-10,12,28H,4,7-8,11,13H2,1-2H3.
What are the key properties of 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 421.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-hydroxyphenyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 53374960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).