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

C19H18ClNO5 — CID 131868588

IUPAC[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1cc(-c2noc(-c3cccc(Cl)c3)c2CO)cc(OC)c1OC
InChIInChI=1S/C19H18ClNO5/c1-23-15-8-12(9-16(24-2)19(15)25-3)17-14(10-22)18(26-21-17)11-5-4-6-13(20)7-11/h4-9,22H,10H2,1-3H3
InChIKeyJYGYNBKDTZGDSS-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.18
Rot. Bonds6

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

[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868588) has the molecular formula C19H18ClNO5 and a molecular weight of 375.81 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868588
Molecular FormulaC19H18ClNO5
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Name[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1cc(-c2noc(-c3cccc(Cl)c3)c2CO)cc(OC)c1OC
InChIInChI=1S/C19H18ClNO5/c1-23-15-8-12(9-16(24-2)19(15)25-3)17-14(10-22)18(26-21-17)11-5-4-6-13(20)7-11/h4-9,22H,10H2,1-3H3
InChIKeyJYGYNBKDTZGDSS-UHFFFAOYSA-N
XLogP4.18
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868442
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[5-(2,4-dichlorophenyl)-3-(2,6-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867302
[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[5-(2,3-dichlorophenyl)-3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867931
[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
CID 131866931
[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191
[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868194

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol (CID 131868588) is [5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol is COc1cc(-c2noc(-c3cccc(Cl)c3)c2CO)cc(OC)c1OC.
What is the InChIKey of [5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is JYGYNBKDTZGDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5/c1-23-15-8-12(9-16(24-2)19(15)25-3)17-14(10-22)18(26-21-17)11-5-4-6-13(20)7-11/h4-9,22H,10H2,1-3H3.
What are the key properties of [5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 375.81 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).