3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C22H24FN5O3 — CID 53374075

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(CCc3cccc(F)c3)C(C)(C)C2=O)cn1
InChIInChI=1S/C22H24FN5O3/c1-14-19(15(2)31-25-14)13-26-12-18(11-24-26)28-20(29)22(3,4)27(21(28)30)9-8-16-6-5-7-17(23)10-16/h5-7,10-12H,8-9,13H2,1-4H3
InChIKeyMSVXVASOHQVHHW-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.47
Rot. Bonds6

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53374075) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53374075
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(CCc3cccc(F)c3)C(C)(C)C2=O)cn1
InChIInChI=1S/C22H24FN5O3/c1-14-19(15(2)31-25-14)13-26-12-18(11-24-26)28-20(29)22(3,4)27(21(28)30)9-8-16-6-5-7-17(23)10-16/h5-7,10-12H,8-9,13H2,1-4H3
InChIKeyMSVXVASOHQVHHW-UHFFFAOYSA-N
XLogP3.47
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53374075) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(CCc3cccc(F)c3)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]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MSVXVASOHQVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-14-19(15(2)31-25-14)13-26-12-18(11-24-26)28-20(29)22(3,4)27(21(28)30)9-8-16-6-5-7-17(23)10-16/h5-7,10-12H,8-9,13H2,1-4H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 425.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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]-1-[2-(3-fluorophenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53374075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).