5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide

C20H18N2O5 — CID 145426412

IUPAC5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(-c2onc(C(N)=O)c2-c2ccc(C=O)cc2)c(O)cc1O
InChIInChI=1S/C20H18N2O5/c1-10(2)13-7-14(16(25)8-15(13)24)19-17(18(20(21)26)22-27-19)12-5-3-11(9-23)4-6-12/h3-10,24-25H,1-2H3,(H2,21,26)
InChIKeyFMQKTDVYJDMOCT-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.45
Rot. Bonds5

About 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide

5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 145426412) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID145426412
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(-c2onc(C(N)=O)c2-c2ccc(C=O)cc2)c(O)cc1O
InChIInChI=1S/C20H18N2O5/c1-10(2)13-7-14(16(25)8-15(13)24)19-17(18(20(21)26)22-27-19)12-5-3-11(9-23)4-6-12/h3-10,24-25H,1-2H3,(H2,21,26)
InChIKeyFMQKTDVYJDMOCT-UHFFFAOYSA-N
XLogP3.45
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide (CID 145426412) is 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide is CC(C)c1cc(-c2onc(C(N)=O)c2-c2ccc(C=O)cc2)c(O)cc1O.
What is the InChIKey of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FMQKTDVYJDMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-10(2)13-7-14(16(25)8-15(13)24)19-17(18(20(21)26)22-27-19)12-5-3-11(9-23)4-6-12/h3-10,24-25H,1-2H3,(H2,21,26).
What are the key properties of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide?
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145426412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).