N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide

C26H24N2O5 — CID 134812728

IUPACN-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(C)=O)cc1-c1cc(NC(=O)c2ccco2)cc(-c2c(C)noc2C)c1
InChIInChI=1S/C26H24N2O5/c1-5-31-23-9-8-18(16(3)29)14-22(23)19-11-20(25-15(2)28-33-17(25)4)13-21(12-19)27-26(30)24-7-6-10-32-24/h6-14H,5H2,1-4H3,(H,27,30)
InChIKeyWQLADCZJBORKGE-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.07
Rot. Bonds7

About N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide

N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide (PubChem CID 134812728) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
PubChem CID134812728
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC NameN-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(C)=O)cc1-c1cc(NC(=O)c2ccco2)cc(-c2c(C)noc2C)c1
InChIInChI=1S/C26H24N2O5/c1-5-31-23-9-8-18(16(3)29)14-22(23)19-11-20(25-15(2)28-33-17(25)4)13-21(12-19)27-26(30)24-7-6-10-32-24/h6-14H,5H2,1-4H3,(H,27,30)
InChIKeyWQLADCZJBORKGE-UHFFFAOYSA-N
XLogP6.07
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2,5-dimethyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 134812725
N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2-ethyl-5-methyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 134812727
N-(3-acetylphenyl)-5-(2-furyl)-3-isoxazolecarboxamide
CID 17253055
N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
CID 3243514
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2400057
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butan-1-one
CID 5308433
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-(3-methoxyphenyl)butanamide
CID 5308704
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 5309268
N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide
CID 46948552
4-(3,5-dimethyl-4-isoxazolyl)-N-phenyl-7-benzofurancarboxamide
CID 49778761
N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 24790522
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 4301629

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide (CID 134812728) is N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide is CCOc1ccc(C(C)=O)cc1-c1cc(NC(=O)c2ccco2)cc(-c2c(C)noc2C)c1.
What is the InChIKey of N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide?
The InChIKey is WQLADCZJBORKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-5-31-23-9-8-18(16(3)29)14-22(23)19-11-20(25-15(2)28-33-17(25)4)13-21(12-19)27-26(30)24-7-6-10-32-24/h6-14H,5H2,1-4H3,(H,27,30).
What are the key properties of N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide?
N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 134812728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).