[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol

C18H19NO2 — CID 21464223

IUPAC[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol
SMILESCC1(C)COC(c2ccc(-c3ccc(CO)cc3)cc2)=N1
InChIInChI=1S/C18H19NO2/c1-18(2)12-21-17(19-18)16-9-7-15(8-10-16)14-5-3-13(11-20)4-6-14/h3-10,20H,11-12H2,1-2H3
InChIKeyQXJRPXHFPRKTMP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.40
Rot. Bonds3

About [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol

[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol (PubChem CID 21464223) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol
PubChem CID21464223
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol
SMILESCC1(C)COC(c2ccc(-c3ccc(CO)cc3)cc2)=N1
InChIInChI=1S/C18H19NO2/c1-18(2)12-21-17(19-18)16-9-7-15(8-10-16)14-5-3-13(11-20)4-6-14/h3-10,20H,11-12H2,1-2H3
InChIKeyQXJRPXHFPRKTMP-UHFFFAOYSA-N
XLogP3.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312
2-(4-Ethylphenyl)-4,5-dihydrooxazole
CID 66764190
(4-Chloro-phenyl)-[4-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-methanol
CID 44354147
2-(4-Butylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519396
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 3718820
Txnhzxwelnuonz-uhfffaoysa-
CID 2732888
((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394838
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394879

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol?
The IUPAC name of [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol (CID 21464223) is [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol.
What is the SMILES notation for [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol?
The canonical SMILES for [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol is CC1(C)COC(c2ccc(-c3ccc(CO)cc3)cc2)=N1.
What is the InChIKey of [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol?
The InChIKey is QXJRPXHFPRKTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)12-21-17(19-18)16-9-7-15(8-10-16)14-5-3-13(11-20)4-6-14/h3-10,20H,11-12H2,1-2H3.
What are the key properties of [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol?
[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol has a molecular weight of 281.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol is sourced from PubChem (CID 21464223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).