4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline

C17H18N2O — CID 3061441

IUPAC4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline
SMILESCC1(C)N=C(c2ccccc2)C(c2ccc(N)cc2)O1
InChIInChI=1S/C17H18N2O/c1-17(2)19-15(12-6-4-3-5-7-12)16(20-17)13-8-10-14(18)11-9-13/h3-11,16H,18H2,1-2H3
InChIKeyUWIHBKWDHFNTOY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.57
Rot. Bonds2

About 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline

4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline (PubChem CID 3061441) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline
PubChem CID3061441
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline
SMILESCC1(C)N=C(c2ccccc2)C(c2ccc(N)cc2)O1
InChIInChI=1S/C17H18N2O/c1-17(2)19-15(12-6-4-3-5-7-12)16(20-17)13-8-10-14(18)11-9-13/h3-11,16H,18H2,1-2H3
InChIKeyUWIHBKWDHFNTOY-UHFFFAOYSA-N
XLogP3.57
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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)aniline?
The IUPAC name of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline (CID 3061441) is 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline?
The canonical SMILES for 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline is CC1(C)N=C(c2ccccc2)C(c2ccc(N)cc2)O1.
What is the InChIKey of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline?
The InChIKey is UWIHBKWDHFNTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(2)19-15(12-6-4-3-5-7-12)16(20-17)13-8-10-14(18)11-9-13/h3-11,16H,18H2,1-2H3.
What are the key properties of 4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline?
4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)aniline has a molecular weight of 266.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 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)aniline is sourced from PubChem (CID 3061441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).