4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol

C19H16N2O3 — CID 158706602

IUPAC4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol
SMILESCc1ccc(-c2cnoc2)cc1.Oc1ccc(-c2cnoc2)cc1
InChIInChI=1S/C10H9NO.C9H7NO2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10;11-9-3-1-7(2-4-9)8-5-10-12-6-8/h2-7H,1H3;1-6,11H
InChIKeyIIENZVUKCFJJLL-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.70
Rot. Bonds2

About 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol

4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol (PubChem CID 158706602) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol.

Molecular Properties

Compound Name4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol
PubChem CID158706602
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol
SMILESCc1ccc(-c2cnoc2)cc1.Oc1ccc(-c2cnoc2)cc1
InChIInChI=1S/C10H9NO.C9H7NO2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10;11-9-3-1-7(2-4-9)8-5-10-12-6-8/h2-7H,1H3;1-6,11H
InChIKeyIIENZVUKCFJJLL-UHFFFAOYSA-N
XLogP4.70
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-(4-methylphenyl)phenol
CID 161379556
4-methylphenol
CID 70549076
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
chromium;bis(4-methylphenol);chloride
CID 172752271
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
4-(4-propoxyphenyl)-1,2-oxazole
CID 20636858
4-methylphenol;2-methylpropane
CID 91606636
boric acid;4-methylphenol
CID 67912006
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol?
The IUPAC name of 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol (CID 158706602) is 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol.
What is the SMILES notation for 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol?
The canonical SMILES for 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol is Cc1ccc(-c2cnoc2)cc1.Oc1ccc(-c2cnoc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol?
The InChIKey is IIENZVUKCFJJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C9H7NO2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10;11-9-3-1-7(2-4-9)8-5-10-12-6-8/h2-7H,1H3;1-6,11H.
What are the key properties of 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol?
4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol has a molecular weight of 320.35 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1,2-oxazole;4-(1,2-oxazol-4-yl)phenol is sourced from PubChem (CID 158706602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).