1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide

C24H26N4O4 — CID 85065761

IUPAC1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
SMILESCCOc1ccc(-c2nc3c(CCC(C(C)O)n4cnc(C(N)=O)c4)cccc3o2)cc1
InChIInChI=1S/C24H26N4O4/c1-3-31-18-10-7-17(8-11-18)24-27-22-16(5-4-6-21(22)32-24)9-12-20(15(2)29)28-13-19(23(25)30)26-14-28/h4-8,10-11,13-15,20,29H,3,9,12H2,1-2H3,(H2,25,30)
InChIKeyVFHBCLFKTIFQPM-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.74
Rot. Bonds9

About 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide

1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide (PubChem CID 85065761) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
PubChem CID85065761
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
SMILESCCOc1ccc(-c2nc3c(CCC(C(C)O)n4cnc(C(N)=O)c4)cccc3o2)cc1
InChIInChI=1S/C24H26N4O4/c1-3-31-18-10-7-17(8-11-18)24-27-22-16(5-4-6-21(22)32-24)9-12-20(15(2)29)28-13-19(23(25)30)26-14-28/h4-8,10-11,13-15,20,29H,3,9,12H2,1-2H3,(H2,25,30)
InChIKeyVFHBCLFKTIFQPM-UHFFFAOYSA-N
XLogP3.74
TPSA116.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide (CID 85065761) is 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide is CCOc1ccc(-c2nc3c(CCC(C(C)O)n4cnc(C(N)=O)c4)cccc3o2)cc1.
What is the InChIKey of 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The InChIKey is VFHBCLFKTIFQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-3-31-18-10-7-17(8-11-18)24-27-22-16(5-4-6-21(22)32-24)9-12-20(15(2)29)28-13-19(23(25)30)26-14-28/h4-8,10-11,13-15,20,29H,3,9,12H2,1-2H3,(H2,25,30).
What are the key properties of 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 85065761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).