3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide

C26H28N2O4 — CID 145125184

IUPAC3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(-c2noc(C(N)=O)c2-c2ccc3c(c2)CCC2CCC2C3)c(O)cc1O
InChIInChI=1S/C26H28N2O4/c1-13(2)19-11-20(22(30)12-21(19)29)24-23(25(26(27)31)32-28-24)18-8-7-16-9-15-5-3-14(15)4-6-17(16)10-18/h7-8,10-15,29-30H,3-6,9H2,1-2H3,(H2,27,31)
InChIKeyODKUPDGOTNYNIP-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.16
Rot. Bonds4

About 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide

3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide (PubChem CID 145125184) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide
PubChem CID145125184
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(-c2noc(C(N)=O)c2-c2ccc3c(c2)CCC2CCC2C3)c(O)cc1O
InChIInChI=1S/C26H28N2O4/c1-13(2)19-11-20(22(30)12-21(19)29)24-23(25(26(27)31)32-28-24)18-8-7-16-9-15-5-3-14(15)4-6-17(16)10-18/h7-8,10-15,29-30H,3-6,9H2,1-2H3,(H2,27,31)
InChIKeyODKUPDGOTNYNIP-UHFFFAOYSA-N
XLogP5.16
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide (CID 145125184) is 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide is CC(C)c1cc(-c2noc(C(N)=O)c2-c2ccc3c(c2)CCC2CCC2C3)c(O)cc1O.
What is the InChIKey of 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ODKUPDGOTNYNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-13(2)19-11-20(22(30)12-21(19)29)24-23(25(26(27)31)32-28-24)18-8-7-16-9-15-5-3-14(15)4-6-17(16)10-18/h7-8,10-15,29-30H,3-6,9H2,1-2H3,(H2,27,31).
What are the key properties of 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide?
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 5.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(11-tricyclo[7.4.0.03,6]trideca-1(9),10,12-trienyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 145125184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).