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

C16H21N5O3 — CID 57422476

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)NC(CC(C)C)C2=O)cn1
InChIInChI=1S/C16H21N5O3/c1-9(2)5-14-15(22)21(16(23)18-14)12-6-17-20(7-12)8-13-10(3)19-24-11(13)4/h6-7,9,14H,5,8H2,1-4H3,(H,18,23)
InChIKeyDZLHIGSLVFSNSH-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.01
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 57422476) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID57422476
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)NC(CC(C)C)C2=O)cn1
InChIInChI=1S/C16H21N5O3/c1-9(2)5-14-15(22)21(16(23)18-14)12-6-17-20(7-12)8-13-10(3)19-24-11(13)4/h6-7,9,14H,5,8H2,1-4H3,(H,18,23)
InChIKeyDZLHIGSLVFSNSH-UHFFFAOYSA-N
XLogP2.01
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.01
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-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 57422476) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)NC(CC(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-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is DZLHIGSLVFSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-9(2)5-14-15(22)21(16(23)18-14)12-6-17-20(7-12)8-13-10(3)19-24-11(13)4/h6-7,9,14H,5,8H2,1-4H3,(H,18,23).
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of 2.01, 5 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-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 57422476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).