[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol

C23H19NO3 — CID 131867824

IUPAC[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1ccccc1-c1onc(-c2ccc(Oc3ccccc3)cc2)c1CO
InChIInChI=1S/C23H19NO3/c1-16-7-5-6-10-20(16)23-21(15-25)22(24-27-23)17-11-13-19(14-12-17)26-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3
InChIKeyABBZZYKGQRMXDF-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.60
Rot. Bonds5

About [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol

[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131867824) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131867824
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1ccccc1-c1onc(-c2ccc(Oc3ccccc3)cc2)c1CO
InChIInChI=1S/C23H19NO3/c1-16-7-5-6-10-20(16)23-21(15-25)22(24-27-23)17-11-13-19(14-12-17)26-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3
InChIKeyABBZZYKGQRMXDF-UHFFFAOYSA-N
XLogP5.60
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mofezolac
CID 4237
3,4-Bis(4-methoxyphenyl)-5-methylisoxazole
CID 3954928
{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-butoxy]-phenyl}-acetic acid
CID 10004390
3-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole
CID 12330185
3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-propionic acid
CID 17894227
2-(4-(3-(3-Phenyl-7-propylbenzo[d]isoxazol-6-yloxy)propoxy)phenyl)acetic acid
CID 18702001
5-(2-Hydroxyethyl)-3,4-bis(4-methoxyphenyl)isoxazole
CID 18998922
3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-butoxy]-phenyl}-propionic acid
CID 44383889
(E)-3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-acrylic acid
CID 44384407
3-{3-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-propionic acid
CID 44385399
4-[5-(1-Hydroxymethyl-cyclopropyl)-4-phenyl-isoxazol-3-yl]-phenol
CID 136395592
5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 144673436

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol (CID 131867824) is [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol is Cc1ccccc1-c1onc(-c2ccc(Oc3ccccc3)cc2)c1CO.
What is the InChIKey of [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is ABBZZYKGQRMXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-16-7-5-6-10-20(16)23-21(15-25)22(24-27-23)17-11-13-19(14-12-17)26-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3.
What are the key properties of [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol?
[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 357.41 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131867824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).