5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol

C13H18N2O2 — CID 71398540

IUPAC5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol
SMILESCN(C)c1ccc(C2(O)ON=CC2(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-12(2)9-14-17-13(12,16)10-5-7-11(8-6-10)15(3)4/h5-9,16H,1-4H3
InChIKeySAQUSRZUDGMEIC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.94
Rot. Bonds2

About 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol

5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol (PubChem CID 71398540) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol
PubChem CID71398540
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol
SMILESCN(C)c1ccc(C2(O)ON=CC2(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-12(2)9-14-17-13(12,16)10-5-7-11(8-6-10)15(3)4/h5-9,16H,1-4H3
InChIKeySAQUSRZUDGMEIC-UHFFFAOYSA-N
XLogP1.94
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171960397
5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione
CID 13241128
1-[4-(dimethylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487416
4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline
CID 15259611
3-[4-(dimethylamino)phenyl]-3-methyloxirane-2-carbonitrile
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N,N-dimethyl-4-(1-nitroethenyl)aniline
CID 87729881
7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960411
[1-[4-(dimethylamino)phenyl]cyclobutyl]methanol
CID 83687412
4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline
CID 54277336
4-[[4-(dimethylamino)phenyl]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-N,N-dimethylaniline
CID 162417621
5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine
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2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol
CID 5250946

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol (CID 71398540) is 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol is CN(C)c1ccc(C2(O)ON=CC2(C)C)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol?
The InChIKey is SAQUSRZUDGMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-12(2)9-14-17-13(12,16)10-5-7-11(8-6-10)15(3)4/h5-9,16H,1-4H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol?
5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol has a molecular weight of 234.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-4,4-dimethyl-1,2-oxazol-5-ol is sourced from PubChem (CID 71398540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).