4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol

C18H17NO4 — CID 162720429

IUPAC4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ncoc2-c2ccc(O)cc2)c(O)cc1O
InChIInChI=1S/C18H17NO4/c1-10(2)13-7-14(16(22)8-15(13)21)17-18(23-9-19-17)11-3-5-12(20)6-4-11/h3-10,20-22H,1-2H3
InChIKeyVIXSBXAIRYUCJM-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.25
Rot. Bonds3

About 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol

4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (PubChem CID 162720429) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
PubChem CID162720429
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ncoc2-c2ccc(O)cc2)c(O)cc1O
InChIInChI=1S/C18H17NO4/c1-10(2)13-7-14(16(22)8-15(13)21)17-18(23-9-19-17)11-3-5-12(20)6-4-11/h3-10,20-22H,1-2H3
InChIKeyVIXSBXAIRYUCJM-UHFFFAOYSA-N
XLogP4.25
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-yl]-phenol
CID 11783258
2-Methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol
CID 11046906
5-[4-(3,5-Dimethoxy-4-methylsulfanylphenyl)-1,3-oxazol-5-yl]-2-methoxyphenol
CID 145956966
2-(6-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid
CID 23111663
(E)-1-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-[3-[5-(3-hydroxyphenyl)-1,3-oxazol-2-yl]phenyl]prop-2-en-1-one
CID 90676336
N-hydroxy-4-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]phenoxy]butanamide
CID 177657650
N-hydroxy-6-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]phenoxy]hexanamide
CID 177666141
4-[5-(4-Fluorophenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42623601
5-(2,4,5-Trifluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56943132
5-(3-Fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 56943507
4-(3,5-Dimethoxyphenyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 56943535
5-(3,4-Dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 56943567

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (CID 162720429) is 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(-c2ncoc2-c2ccc(O)cc2)c(O)cc1O.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is VIXSBXAIRYUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-10(2)13-7-14(16(22)8-15(13)21)17-18(23-9-19-17)11-3-5-12(20)6-4-11/h3-10,20-22H,1-2H3.
What are the key properties of 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 311.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-1,3-oxazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 162720429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).