3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione

C16H14ClN3O3 — CID 87022673

IUPAC3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H14ClN3O3/c17-11-3-1-2-10(6-11)13-7-18-14(23-13)8-20-15(21)9-19(16(20)22)12-4-5-12/h1-3,6-7,12H,4-5,8-9H2
InChIKeySTINIBZHKBUTQE-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.92
Rot. Bonds4

About 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione

3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 87022673) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione
PubChem CID87022673
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H14ClN3O3/c17-11-3-1-2-10(6-11)13-7-18-14(23-13)8-20-15(21)9-19(16(20)22)12-4-5-12/h1-3,6-7,12H,4-5,8-9H2
InChIKeySTINIBZHKBUTQE-UHFFFAOYSA-N
XLogP2.92
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione (CID 87022673) is 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1Cc1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is STINIBZHKBUTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-11-3-1-2-10(6-11)13-7-18-14(23-13)8-20-15(21)9-19(16(20)22)12-4-5-12/h1-3,6-7,12H,4-5,8-9H2.
What are the key properties of 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione?
3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 331.76 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 87022673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).