[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone

C18H15NO3 — CID 71624897

IUPAC[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone
SMILESCc1noc(C)c1-c1cc(O)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H15NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,20H,1-2H3
InChIKeyLLCUDNVKDVHKCZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.90
Rot. Bonds3

About [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone

[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone (PubChem CID 71624897) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone
PubChem CID71624897
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone
SMILESCc1noc(C)c1-c1cc(O)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H15NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,20H,1-2H3
InChIKeyLLCUDNVKDVHKCZ-UHFFFAOYSA-N
XLogP3.90
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
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-hydroxyphenyl]-phenylmethanone?
The IUPAC name of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone (CID 71624897) is [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone?
The canonical SMILES for [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone is Cc1noc(C)c1-c1cc(O)cc(C(=O)c2ccccc2)c1.
What is the InChIKey of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone?
The InChIKey is LLCUDNVKDVHKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,20H,1-2H3.
What are the key properties of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone?
[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxyphenyl]-phenylmethanone has a molecular weight of 293.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 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-hydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 71624897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).