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

C20H21N5O3 — CID 57422442

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccccc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O
InChIInChI=1S/C20H21N5O3/c1-13-6-4-5-7-16(13)9-23-12-19(26)25(20(23)27)17-8-21-24(10-17)11-18-14(2)22-28-15(18)3/h4-8,10H,9,11-12H2,1-3H3
InChIKeyXDNVXZPECRQRQK-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.81
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 57422442) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID57422442
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccccc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O
InChIInChI=1S/C20H21N5O3/c1-13-6-4-5-7-16(13)9-23-12-19(26)25(20(23)27)17-8-21-24(10-17)11-18-14(2)22-28-15(18)3/h4-8,10H,9,11-12H2,1-3H3
InChIKeyXDNVXZPECRQRQK-UHFFFAOYSA-N
XLogP2.81
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
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]-1-[(2-methylphenyl)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-methylphenyl)methyl]imidazolidine-2,4-dione (CID 57422442) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylphenyl)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-methylphenyl)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-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccccc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is XDNVXZPECRQRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-6-4-5-7-16(13)9-23-12-19(26)25(20(23)27)17-8-21-24(10-17)11-18-14(2)22-28-15(18)3/h4-8,10H,9,11-12H2,1-3H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 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]-1-[(2-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 57422442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).