3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione

C22H25N5O4 — CID 53374079

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(CCOc3ccccc3)C(C)(C)C2=O)cn1
InChIInChI=1S/C22H25N5O4/c1-15-19(16(2)31-24-15)14-25-13-17(12-23-25)27-20(28)22(3,4)26(21(27)29)10-11-30-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyDXVLDEYHGXZPNM-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.16
Rot. Bonds7

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione (PubChem CID 53374079) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione
PubChem CID53374079
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(CCOc3ccccc3)C(C)(C)C2=O)cn1
InChIInChI=1S/C22H25N5O4/c1-15-19(16(2)31-24-15)14-25-13-17(12-23-25)27-20(28)22(3,4)26(21(27)29)10-11-30-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyDXVLDEYHGXZPNM-UHFFFAOYSA-N
XLogP3.16
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione (CID 53374079) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(CCOc3ccccc3)C(C)(C)C2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione?
The InChIKey is DXVLDEYHGXZPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15-19(16(2)31-24-15)14-25-13-17(12-23-25)27-20(28)22(3,4)26(21(27)29)10-11-30-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione has a molecular weight of 423.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(2-phenoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 53374079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).