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

C19H19N5O4 — CID 57422432

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3O)C2=O)cn1
InChIInChI=1S/C19H19N5O4/c1-12-16(13(2)28-21-12)10-23-9-15(7-20-23)24-18(26)11-22(19(24)27)8-14-5-3-4-6-17(14)25/h3-7,9,25H,8,10-11H2,1-2H3
InChIKeyWFPISTVXDCJCPH-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.21
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 57422432) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID57422432
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3O)C2=O)cn1
InChIInChI=1S/C19H19N5O4/c1-12-16(13(2)28-21-12)10-23-9-15(7-20-23)24-18(26)11-22(19(24)27)8-14-5-3-4-6-17(14)25/h3-7,9,25H,8,10-11H2,1-2H3
InChIKeyWFPISTVXDCJCPH-UHFFFAOYSA-N
XLogP2.21
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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-hydroxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione (CID 57422432) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)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-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3O)C2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is WFPISTVXDCJCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-12-16(13(2)28-21-12)10-23-9-15(7-20-23)24-18(26)11-22(19(24)27)8-14-5-3-4-6-17(14)25/h3-7,9,25H,8,10-11H2,1-2H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-hydroxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 381.39 g/mol, XLogP of 2.21, 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-hydroxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 57422432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).