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

C17H19N7O3 — CID 57422457

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccn(C)n3)C2=O)cn1
InChIInChI=1S/C17H19N7O3/c1-11-15(12(2)27-20-11)9-23-8-14(6-18-23)24-16(25)10-22(17(24)26)7-13-4-5-21(3)19-13/h4-6,8H,7,9-10H2,1-3H3
InChIKeyJVALFYDRYQWNHG-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.24
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 57422457) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID57422457
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccn(C)n3)C2=O)cn1
InChIInChI=1S/C17H19N7O3/c1-11-15(12(2)27-20-11)9-23-8-14(6-18-23)24-16(25)10-22(17(24)26)7-13-4-5-21(3)19-13/h4-6,8H,7,9-10H2,1-3H3
InChIKeyJVALFYDRYQWNHG-UHFFFAOYSA-N
XLogP1.24
TPSA102.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (CID 57422457) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]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-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccn(C)n3)C2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JVALFYDRYQWNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-11-15(12(2)27-20-11)9-23-8-14(6-18-23)24-16(25)10-22(17(24)26)7-13-4-5-21(3)19-13/h4-6,8H,7,9-10H2,1-3H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 369.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 57422457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).