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

C22H23F2N5O3 — CID 53374474

IUPAC1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(CCc3cc(F)cc(F)c3)C(C)(C)C2=O)cn1
InChIInChI=1S/C22H23F2N5O3/c1-13-19(14(2)32-26-13)12-27-11-18(10-25-27)29-20(30)22(3,4)28(21(29)31)6-5-15-7-16(23)9-17(24)8-15/h7-11H,5-6,12H2,1-4H3
InChIKeyVADXGTADQOYHOY-UHFFFAOYSA-N
MW443.45 g/mol
LogP3.60
Rot. Bonds6

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

1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53374474) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53374474
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC Name1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(CCc3cc(F)cc(F)c3)C(C)(C)C2=O)cn1
InChIInChI=1S/C22H23F2N5O3/c1-13-19(14(2)32-26-13)12-27-11-18(10-25-27)29-20(30)22(3,4)28(21(29)31)6-5-15-7-16(23)9-17(24)8-15/h7-11H,5-6,12H2,1-4H3
InChIKeyVADXGTADQOYHOY-UHFFFAOYSA-N
XLogP3.60
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 53.60
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 1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 53374474) is 1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(CCc3cc(F)cc(F)c3)C(C)(C)C2=O)cn1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VADXGTADQOYHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-13-19(14(2)32-26-13)12-27-11-18(10-25-27)29-20(30)22(3,4)28(21(29)31)6-5-15-7-16(23)9-17(24)8-15/h7-11H,5-6,12H2,1-4H3.
What are the key properties of 1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 443.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)ethyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53374474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).