[5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol

C23H19NO2 — CID 57342816

IUPAC[5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol
SMILESCc1ccc(-c2oc(-c3ccccc3)nc2C(O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO2/c1-16-12-14-18(15-13-16)22-20(21(25)17-8-4-2-5-9-17)24-23(26-22)19-10-6-3-7-11-19/h2-15,21,25H,1H3
InChIKeyCPMZHJHNZXAUPZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.40
Rot. Bonds4

About [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol

[5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol (PubChem CID 57342816) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol
PubChem CID57342816
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name[5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol
SMILESCc1ccc(-c2oc(-c3ccccc3)nc2C(O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO2/c1-16-12-14-18(15-13-16)22-20(21(25)17-8-4-2-5-9-17)24-23(26-22)19-10-6-3-7-11-19/h2-15,21,25H,1H3
InChIKeyCPMZHJHNZXAUPZ-UHFFFAOYSA-N
XLogP5.40
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole
CID 57434504
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
CID 13028435
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
1-(2-phenyl-5-pyridin-3-yl-1,3-oxazol-4-yl)ethanamine
CID 71295236
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879334
[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 123274472
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
CID 18330802
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate
CID 138963409

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol?
The IUPAC name of [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol (CID 57342816) is [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol.
What is the SMILES notation for [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol?
The canonical SMILES for [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol is Cc1ccc(-c2oc(-c3ccccc3)nc2C(O)c2ccccc2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol?
The InChIKey is CPMZHJHNZXAUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-16-12-14-18(15-13-16)22-20(21(25)17-8-4-2-5-9-17)24-23(26-22)19-10-6-3-7-11-19/h2-15,21,25H,1H3.
What are the key properties of [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol?
[5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol has a molecular weight of 341.41 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-2-phenyl-1,3-oxazol-4-yl]-phenylmethanol is sourced from PubChem (CID 57342816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).