3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol

C19H19NO3 — CID 139547911

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(O)c2cc(O)cc(-c3c(C)noc3C)c2)cc1
InChIInChI=1S/C19H19NO3/c1-11-4-6-14(7-5-11)19(22)16-8-15(9-17(21)10-16)18-12(2)20-23-13(18)3/h4-10,19,21-22H,1-3H3
InChIKeyTXMWUPZTYUMQSN-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.05
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol (PubChem CID 139547911) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol
PubChem CID139547911
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(O)c2cc(O)cc(-c3c(C)noc3C)c2)cc1
InChIInChI=1S/C19H19NO3/c1-11-4-6-14(7-5-11)19(22)16-8-15(9-17(21)10-16)18-12(2)20-23-13(18)3/h4-10,19,21-22H,1-3H3
InChIKeyTXMWUPZTYUMQSN-UHFFFAOYSA-N
XLogP4.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol (CID 139547911) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol is Cc1ccc(C(O)c2cc(O)cc(-c3c(C)noc3C)c2)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol?
The InChIKey is TXMWUPZTYUMQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-4-6-14(7-5-11)19(22)16-8-15(9-17(21)10-16)18-12(2)20-23-13(18)3/h4-10,19,21-22H,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol has a molecular weight of 309.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-methylphenyl)methyl]phenol is sourced from PubChem (CID 139547911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).