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

C20H24N6O4 — CID 53375153

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1CN1C(=O)N(c2cnn(Cc3c(C)noc3C)c2)C(=O)C1(C)C
InChIInChI=1S/C20H24N6O4/c1-11-16(13(3)29-22-11)9-24-8-15(7-21-24)26-18(27)20(5,6)25(19(26)28)10-17-12(2)23-30-14(17)4/h7-8H,9-10H2,1-6H3
InChIKeySWWMNTHYUKOJAT-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.89
Rot. Bonds5

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53375153) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53375153
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1CN1C(=O)N(c2cnn(Cc3c(C)noc3C)c2)C(=O)C1(C)C
InChIInChI=1S/C20H24N6O4/c1-11-16(13(3)29-22-11)9-24-8-15(7-21-24)26-18(27)20(5,6)25(19(26)28)10-17-12(2)23-30-14(17)4/h7-8H,9-10H2,1-6H3
InChIKeySWWMNTHYUKOJAT-UHFFFAOYSA-N
XLogP2.89
TPSA110.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.89
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 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 53375153) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione is Cc1noc(C)c1CN1C(=O)N(c2cnn(Cc3c(C)noc3C)c2)C(=O)C1(C)C.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is SWWMNTHYUKOJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-11-16(13(3)29-22-11)9-24-8-15(7-21-24)26-18(27)20(5,6)25(19(26)28)10-17-12(2)23-30-14(17)4/h7-8H,9-10H2,1-6H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 412.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53375153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).