4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one

C15H17ClN2O2 — CID 7466705

IUPAC4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one
SMILESC/C(=N\C(C)(C)C)C1N=C(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C15H17ClN2O2/c1-9(18-15(2,3)4)12-14(19)20-13(17-12)10-5-7-11(16)8-6-10/h5-8,12H,1-4H3/b18-9+
InChIKeyYSNJUZXDSHPAII-GIJQJNRQSA-N
MW292.77 g/mol
LogP3.27
Rot. Bonds2

About 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one

4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one (PubChem CID 7466705) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one
PubChem CID7466705
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one
SMILESC/C(=N\C(C)(C)C)C1N=C(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C15H17ClN2O2/c1-9(18-15(2,3)4)12-14(19)20-13(17-12)10-5-7-11(16)8-6-10/h5-8,12H,1-4H3/b18-9+
InChIKeyYSNJUZXDSHPAII-GIJQJNRQSA-N
XLogP3.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one (CID 7466705) is 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one is C/C(=N\C(C)(C)C)C1N=C(c2ccc(Cl)cc2)OC1=O.
What is the InChIKey of 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one?
The InChIKey is YSNJUZXDSHPAII-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(18-15(2,3)4)12-14(19)20-13(17-12)10-5-7-11(16)8-6-10/h5-8,12H,1-4H3/b18-9+.
What are the key properties of 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one?
4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one has a molecular weight of 292.77 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-tert-butyl-C-methylcarbonimidoyl)-2-(4-chlorophenyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 7466705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).