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

C16H21N5O4 — CID 53374573

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(CCO)C(C)(C)C2=O)cn1
InChIInChI=1S/C16H21N5O4/c1-10-13(11(2)25-18-10)9-19-8-12(7-17-19)21-14(23)16(3,4)20(5-6-22)15(21)24/h7-8,22H,5-6,9H2,1-4H3
InChIKeyJELASXOYLZSFFB-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.08
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53374573) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-hydroxyethyl)-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-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53374573
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(CCO)C(C)(C)C2=O)cn1
InChIInChI=1S/C16H21N5O4/c1-10-13(11(2)25-18-10)9-19-8-12(7-17-19)21-14(23)16(3,4)20(5-6-22)15(21)24/h7-8,22H,5-6,9H2,1-4H3
InChIKeyJELASXOYLZSFFB-UHFFFAOYSA-N
XLogP1.08
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-hydroxyethyl)-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-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione (CID 53374573) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-hydroxyethyl)-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-hydroxyethyl)-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-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(CCO)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-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is JELASXOYLZSFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-10-13(11(2)25-18-10)9-19-8-12(7-17-19)21-14(23)16(3,4)20(5-6-22)15(21)24/h7-8,22H,5-6,9H2,1-4H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 347.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53374573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).