[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol

C17H14ClNO3 — CID 131868442

IUPAC[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(-c2noc(-c3ccc(Cl)cc3)c2CO)c1
InChIInChI=1S/C17H14ClNO3/c1-21-14-4-2-3-12(9-14)16-15(10-20)17(22-19-16)11-5-7-13(18)8-6-11/h2-9,20H,10H2,1H3
InChIKeyIJAKYVJIBADIQX-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.16
Rot. Bonds4

About [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol

[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868442) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868442
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(-c2noc(-c3ccc(Cl)cc3)c2CO)c1
InChIInChI=1S/C17H14ClNO3/c1-21-14-4-2-3-12(9-14)16-15(10-20)17(22-19-16)11-5-7-13(18)8-6-11/h2-9,20H,10H2,1H3
InChIKeyIJAKYVJIBADIQX-UHFFFAOYSA-N
XLogP4.16
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227
[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868155
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868194
[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
CID 131866931
[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868588
[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868258
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol (CID 131868442) is [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol is COc1cccc(-c2noc(-c3ccc(Cl)cc3)c2CO)c1.
What is the InChIKey of [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is IJAKYVJIBADIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-21-14-4-2-3-12(9-14)16-15(10-20)17(22-19-16)11-5-7-13(18)8-6-11/h2-9,20H,10H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 315.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).