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

C22H25N5O3 — CID 53373740

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(C(C)c3ccccc3)C(C)(C)C2=O)cn1
InChIInChI=1S/C22H25N5O3/c1-14-19(16(3)30-24-14)13-25-12-18(11-23-25)26-20(28)22(4,5)27(21(26)29)15(2)17-9-7-6-8-10-17/h6-12,15H,13H2,1-5H3
InChIKeyMRNUKZUIKPPHAN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.84
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(1-phenylethyl)imidazolidine-2,4-dione (PubChem CID 53373740) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(1-phenylethyl)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-(1-phenylethyl)imidazolidine-2,4-dione
PubChem CID53373740
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(C(C)c3ccccc3)C(C)(C)C2=O)cn1
InChIInChI=1S/C22H25N5O3/c1-14-19(16(3)30-24-14)13-25-12-18(11-23-25)26-20(28)22(4,5)27(21(26)29)15(2)17-9-7-6-8-10-17/h6-12,15H,13H2,1-5H3
InChIKeyMRNUKZUIKPPHAN-UHFFFAOYSA-N
XLogP3.84
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(1-phenylethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(1-phenylethyl)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-(1-phenylethyl)imidazolidine-2,4-dione (CID 53373740) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(1-phenylethyl)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-(1-phenylethyl)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-(1-phenylethyl)imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(C(C)c3ccccc3)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-(1-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is MRNUKZUIKPPHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-19(16(3)30-24-14)13-25-12-18(11-23-25)26-20(28)22(4,5)27(21(26)29)15(2)17-9-7-6-8-10-17/h6-12,15H,13H2,1-5H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(1-phenylethyl)imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(1-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 3.84, 5 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]-5,5-dimethyl-1-(1-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 53373740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).