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

C20H21N5O3 — CID 57422489

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(CCc3ccccc3)C2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-14-18(15(2)28-22-14)12-24-11-17(10-21-24)25-19(26)13-23(20(25)27)9-8-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-13H2,1-2H3
InChIKeyIWTNYLYQBLNFBD-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.55
Rot. Bonds6

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 57422489) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID57422489
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(CCc3ccccc3)C2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-14-18(15(2)28-22-14)12-24-11-17(10-21-24)25-19(26)13-23(20(25)27)9-8-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-13H2,1-2H3
InChIKeyIWTNYLYQBLNFBD-UHFFFAOYSA-N
XLogP2.55
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.55
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-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione (CID 57422489) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-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]-1-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)CN(CCc3ccccc3)C2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is IWTNYLYQBLNFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14-18(15(2)28-22-14)12-24-11-17(10-21-24)25-19(26)13-23(20(25)27)9-8-16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-13H2,1-2H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 2.55, 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-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 57422489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).