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

C20H21N5O3 — CID 57422465

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)NC(CCc3ccccc3)C2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-13-17(14(2)28-23-13)12-24-11-16(10-21-24)25-19(26)18(22-20(25)27)9-8-15-6-4-3-5-7-15/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,22,27)
InChIKeyGKNNRXBARRKQRO-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.59
Rot. Bonds6

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 57422465) 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]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID57422465
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]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)NC(CCc3ccccc3)C2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-13-17(14(2)28-23-13)12-24-11-16(10-21-24)25-19(26)18(22-20(25)27)9-8-15-6-4-3-5-7-15/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,22,27)
InChIKeyGKNNRXBARRKQRO-UHFFFAOYSA-N
XLogP2.59
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
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]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 57422465) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(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]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)NC(CCc3ccccc3)C2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is GKNNRXBARRKQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-17(14(2)28-23-13)12-24-11-16(10-21-24)25-19(26)18(22-20(25)27)9-8-15-6-4-3-5-7-15/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,22,27).
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 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-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 57422465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).