3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one

C11H16ClN3O2 — CID 20560592

IUPAC3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one
SMILESCN1CC(Cl)N(c2cc(C(C)(C)C)on2)C1=O
InChIInChI=1S/C11H16ClN3O2/c1-11(2,3)7-5-9(13-17-7)15-8(12)6-14(4)10(15)16/h5,8H,6H2,1-4H3
InChIKeyVBMPGIVCMVVMNF-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.41
Rot. Bonds1

About 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one

3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one (PubChem CID 20560592) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one
PubChem CID20560592
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one
SMILESCN1CC(Cl)N(c2cc(C(C)(C)C)on2)C1=O
InChIInChI=1S/C11H16ClN3O2/c1-11(2,3)7-5-9(13-17-7)15-8(12)6-14(4)10(15)16/h5,8H,6H2,1-4H3
InChIKeyVBMPGIVCMVVMNF-UHFFFAOYSA-N
XLogP2.41
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-(5-tert-butyl-1,2-oxazol-3-yl)-4-methoxy-1-methylimidazolidin-2-one
CID 70493740
[3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate
CID 13489666
4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
CID 121324759
1-(5-tert-butyl-1,2-oxazol-3-yl)-6-hydroxy-3,4-dimethyl-1,3-diazinan-2-one
CID 147309957
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 121324923
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethyl-5-hydroxy-3-methylimidazolidin-2-one
CID 146547637
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-methoxy-3-methylimidazolidin-2-one
CID 118614402
1-(5-tert-butyl-1,2-oxazol-3-yl)-4,5-bis(hydroxymethyl)imidazolidin-2-one
CID 70566857
1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
CID 118608841
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
CID 118613741
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
CID 162201840
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one
CID 118920372

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one?
The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one (CID 20560592) is 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one?
The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one is CN1CC(Cl)N(c2cc(C(C)(C)C)on2)C1=O.
What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one?
The InChIKey is VBMPGIVCMVVMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-11(2,3)7-5-9(13-17-7)15-8(12)6-14(4)10(15)16/h5,8H,6H2,1-4H3.
What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one?
3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one has a molecular weight of 257.72 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-1-methylimidazolidin-2-one is sourced from PubChem (CID 20560592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).