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

C18H17N5O4 — CID 59524358

IUPAC1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCc1oncc1Cn1cc(N2C(=O)CN(Cc3cccc(O)c3)C2=O)cn1
InChIInChI=1S/C18H17N5O4/c1-12-14(6-20-27-12)9-22-10-15(7-19-22)23-17(25)11-21(18(23)26)8-13-3-2-4-16(24)5-13/h2-7,10,24H,8-9,11H2,1H3
InChIKeyFOQXARAQFWJDEE-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.90
Rot. Bonds5

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

1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 59524358) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
PubChem CID59524358
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCc1oncc1Cn1cc(N2C(=O)CN(Cc3cccc(O)c3)C2=O)cn1
InChIInChI=1S/C18H17N5O4/c1-12-14(6-20-27-12)9-22-10-15(7-19-22)23-17(25)11-21(18(23)26)8-13-3-2-4-16(24)5-13/h2-7,10,24H,8-9,11H2,1H3
InChIKeyFOQXARAQFWJDEE-UHFFFAOYSA-N
XLogP1.90
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.90
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 1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (CID 59524358) is 1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is Cc1oncc1Cn1cc(N2C(=O)CN(Cc3cccc(O)c3)C2=O)cn1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The InChIKey is FOQXARAQFWJDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-12-14(6-20-27-12)9-22-10-15(7-19-22)23-17(25)11-21(18(23)26)8-13-3-2-4-16(24)5-13/h2-7,10,24H,8-9,11H2,1H3.
What are the key properties of 1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 367.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 59524358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).