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

C12H13N5O3 — CID 57422424

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CNC2=O)cn1
InChIInChI=1S/C12H13N5O3/c1-7-10(8(2)20-15-7)6-16-5-9(3-14-16)17-11(18)4-13-12(17)19/h3,5H,4,6H2,1-2H3,(H,13,19)
InChIKeyRWEVSYWNTGRWIX-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.59
Rot. Bonds3

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 57422424) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
PubChem CID57422424
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CNC2=O)cn1
InChIInChI=1S/C12H13N5O3/c1-7-10(8(2)20-15-7)6-16-5-9(3-14-16)17-11(18)4-13-12(17)19/h3,5H,4,6H2,1-2H3,(H,13,19)
InChIKeyRWEVSYWNTGRWIX-UHFFFAOYSA-N
XLogP0.59
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.59
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]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (CID 57422424) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)CNC2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The InChIKey is RWEVSYWNTGRWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-7-10(8(2)20-15-7)6-16-5-9(3-14-16)17-11(18)4-13-12(17)19/h3,5H,4,6H2,1-2H3,(H,13,19).
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 275.27 g/mol, XLogP of 0.59, 3 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]imidazolidine-2,4-dione is sourced from PubChem (CID 57422424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).