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

C21H23N5O5 — CID 58409600

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCOc1cccc(OCCN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1
InChIInChI=1S/C21H23N5O5/c1-14-19(15(2)31-23-14)12-25-11-16(10-22-25)26-20(27)13-24(21(26)28)7-8-30-18-6-4-5-17(9-18)29-3/h4-6,9-11H,7-8,12-13H2,1-3H3
InChIKeyAIHXLERUYNHRCQ-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.39
Rot. Bonds8

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 58409600) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID58409600
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCOc1cccc(OCCN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1
InChIInChI=1S/C21H23N5O5/c1-14-19(15(2)31-23-14)12-25-11-16(10-22-25)26-20(27)13-24(21(26)28)7-8-30-18-6-4-5-17(9-18)29-3/h4-6,9-11H,7-8,12-13H2,1-3H3
InChIKeyAIHXLERUYNHRCQ-UHFFFAOYSA-N
XLogP2.39
TPSA102.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.39
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-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione (CID 58409600) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]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-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione is COc1cccc(OCCN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is AIHXLERUYNHRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-14-19(15(2)31-23-14)12-25-11-16(10-22-25)26-20(27)13-24(21(26)28)7-8-30-18-6-4-5-17(9-18)29-3/h4-6,9-11H,7-8,12-13H2,1-3H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 425.45 g/mol, XLogP of 2.39, 8 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-[2-(3-methoxyphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58409600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).