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

C15H19N5O3 — CID 57422477

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)NC(C(C)C)C2=O)cn1
InChIInChI=1S/C15H19N5O3/c1-8(2)13-14(21)20(15(22)17-13)11-5-16-19(6-11)7-12-9(3)18-23-10(12)4/h5-6,8,13H,7H2,1-4H3,(H,17,22)
InChIKeyVXBDVYRGMLYPPJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.62
Rot. Bonds4

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 57422477) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID57422477
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)NC(C(C)C)C2=O)cn1
InChIInChI=1S/C15H19N5O3/c1-8(2)13-14(21)20(15(22)17-13)11-5-16-19(6-11)7-12-9(3)18-23-10(12)4/h5-6,8,13H,7H2,1-4H3,(H,17,22)
InChIKeyVXBDVYRGMLYPPJ-UHFFFAOYSA-N
XLogP1.62
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
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]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione (CID 57422477) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)NC(C(C)C)C2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is VXBDVYRGMLYPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-8(2)13-14(21)20(15(22)17-13)11-5-16-19(6-11)7-12-9(3)18-23-10(12)4/h5-6,8,13H,7H2,1-4H3,(H,17,22).
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 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]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 57422477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).