5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione

C20H23N5O3 — CID 70646324

IUPAC5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione
SMILESCc1noc(C)c1CN1CC(N2C(=O)C(Cc3ccccc3)N(C)C2=O)C=N1
InChIInChI=1S/C20H23N5O3/c1-13-17(14(2)28-22-13)12-24-11-16(10-21-24)25-19(26)18(23(3)20(25)27)9-15-7-5-4-6-8-15/h4-8,10,16,18H,9,11-12H2,1-3H3
InChIKeyNRYVHLVPSWSSHL-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.97
Rot. Bonds5

About 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione

5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione (PubChem CID 70646324) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione
PubChem CID70646324
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione
SMILESCc1noc(C)c1CN1CC(N2C(=O)C(Cc3ccccc3)N(C)C2=O)C=N1
InChIInChI=1S/C20H23N5O3/c1-13-17(14(2)28-22-13)12-24-11-16(10-21-24)25-19(26)18(23(3)20(25)27)9-15-7-5-4-6-8-15/h4-8,10,16,18H,9,11-12H2,1-3H3
InChIKeyNRYVHLVPSWSSHL-UHFFFAOYSA-N
XLogP1.97
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.97
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 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione (CID 70646324) is 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione is Cc1noc(C)c1CN1CC(N2C(=O)C(Cc3ccccc3)N(C)C2=O)C=N1.
What is the InChIKey of 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione?
The InChIKey is NRYVHLVPSWSSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-17(14(2)28-22-13)12-24-11-16(10-21-24)25-19(26)18(23(3)20(25)27)9-15-7-5-4-6-8-15/h4-8,10,16,18H,9,11-12H2,1-3H3.
What are the key properties of 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione?
5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione has a molecular weight of 381.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 70646324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).