N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C26H22N2O4 — CID 38898960

IUPACN-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCOc1cc2c(cc1NC(=O)CCCc1ncc(-c3ccccc3)o1)oc1ccccc12
InChIInChI=1S/C26H22N2O4/c1-30-23-14-19-18-10-5-6-11-21(18)31-22(19)15-20(23)28-25(29)12-7-13-26-27-16-24(32-26)17-8-3-2-4-9-17/h2-6,8-11,14-16H,7,12-13H2,1H3,(H,28,29)
InChIKeyNAVHRCUPMFUHIG-UHFFFAOYSA-N
MW426.47 g/mol
LogP6.21
Rot. Bonds7

About N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 38898960) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID38898960
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCOc1cc2c(cc1NC(=O)CCCc1ncc(-c3ccccc3)o1)oc1ccccc12
InChIInChI=1S/C26H22N2O4/c1-30-23-14-19-18-10-5-6-11-21(18)31-22(19)15-20(23)28-25(29)12-7-13-26-27-16-24(32-26)17-8-3-2-4-9-17/h2-6,8-11,14-16H,7,12-13H2,1H3,(H,28,29)
InChIKeyNAVHRCUPMFUHIG-UHFFFAOYSA-N
XLogP6.21
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 167759952
N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 86986097
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 26207632
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
N-(5-bromo-2-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55905133
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide
CID 2219830
6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)hexanamide
CID 2219851
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38932262
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 38898960) is N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is COc1cc2c(cc1NC(=O)CCCc1ncc(-c3ccccc3)o1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is NAVHRCUPMFUHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-30-23-14-19-18-10-5-6-11-21(18)31-22(19)15-20(23)28-25(29)12-7-13-26-27-16-24(32-26)17-8-3-2-4-9-17/h2-6,8-11,14-16H,7,12-13H2,1H3,(H,28,29).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 426.47 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 38898960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).