4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide

C19H22N2O2 — CID 3062809

IUPAC4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide
SMILESCC1(C)N=C(c2ccccc2)C(c2ccc([N+](C)(C)[O-])cc2)O1
InChIInChI=1S/C19H22N2O2/c1-19(2)20-17(14-8-6-5-7-9-14)18(23-19)15-10-12-16(13-11-15)21(3,4)22/h5-13,18H,1-4H3
InChIKeyUGKSQFYALNFOSH-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.05
Rot. Bonds3

About 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide

4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide (PubChem CID 3062809) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide.

Molecular Properties

Compound Name4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide
PubChem CID3062809
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide
SMILESCC1(C)N=C(c2ccccc2)C(c2ccc([N+](C)(C)[O-])cc2)O1
InChIInChI=1S/C19H22N2O2/c1-19(2)20-17(14-8-6-5-7-9-14)18(23-19)15-10-12-16(13-11-15)21(3,4)22/h5-13,18H,1-4H3
InChIKeyUGKSQFYALNFOSH-UHFFFAOYSA-N
XLogP4.05
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide?
The IUPAC name of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide (CID 3062809) is 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide.
What is the SMILES notation for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide?
The canonical SMILES for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide is CC1(C)N=C(c2ccccc2)C(c2ccc([N+](C)(C)[O-])cc2)O1.
What is the InChIKey of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide?
The InChIKey is UGKSQFYALNFOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2)20-17(14-8-6-5-7-9-14)18(23-19)15-10-12-16(13-11-15)21(3,4)22/h5-13,18H,1-4H3.
What are the key properties of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide?
4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide has a molecular weight of 310.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N-dimethylbenzeneamine oxide is sourced from PubChem (CID 3062809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).