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

C17H23N5O4 — CID 53373742

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOCCN1C(=O)N(c2cnn(Cc3c(C)noc3C)c2)C(=O)C1(C)C
InChIInChI=1S/C17H23N5O4/c1-11-14(12(2)26-19-11)10-20-9-13(8-18-20)22-15(23)17(3,4)21(16(22)24)6-7-25-5/h8-9H,6-7,10H2,1-5H3
InChIKeyVCYRFNWRLXHCGZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.73
Rot. Bonds6

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53373742) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-methoxyethyl)-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-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53373742
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOCCN1C(=O)N(c2cnn(Cc3c(C)noc3C)c2)C(=O)C1(C)C
InChIInChI=1S/C17H23N5O4/c1-11-14(12(2)26-19-11)10-20-9-13(8-18-20)22-15(23)17(3,4)21(16(22)24)6-7-25-5/h8-9H,6-7,10H2,1-5H3
InChIKeyVCYRFNWRLXHCGZ-UHFFFAOYSA-N
XLogP1.73
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
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-methoxyethyl)-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-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione (CID 53373742) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-methoxyethyl)-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-methoxyethyl)-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-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione is COCCN1C(=O)N(c2cnn(Cc3c(C)noc3C)c2)C(=O)C1(C)C.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VCYRFNWRLXHCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-11-14(12(2)26-19-11)10-20-9-13(8-18-20)22-15(23)17(3,4)21(16(22)24)6-7-25-5/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-(2-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 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-methoxyethyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53373742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).