N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide

C22H23N3O4 — CID 55602601

IUPACN-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2nnc(-c3ccc(C)cc3)o2)c(C(C)=O)c1
InChIInChI=1S/C22H23N3O4/c1-4-5-20(27)23-17-10-11-19(18(12-17)15(3)26)28-13-21-24-25-22(29-21)16-8-6-14(2)7-9-16/h6-12H,4-5,13H2,1-3H3,(H,23,27)
InChIKeyBIJONXSSBQCHFQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.57
Rot. Bonds8

About N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide

N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide (PubChem CID 55602601) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide
PubChem CID55602601
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2nnc(-c3ccc(C)cc3)o2)c(C(C)=O)c1
InChIInChI=1S/C22H23N3O4/c1-4-5-20(27)23-17-10-11-19(18(12-17)15(3)26)28-13-21-24-25-22(29-21)16-8-6-14(2)7-9-16/h6-12H,4-5,13H2,1-3H3,(H,23,27)
InChIKeyBIJONXSSBQCHFQ-UHFFFAOYSA-N
XLogP4.57
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
CID 31472185
N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide
CID 24656339
N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
CID 16545454
N-[3-fluoro-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propanamide
CID 155812824
N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
CID 31471763
N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
CID 75438927
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
CID 52891638
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
CID 31471779
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55865297
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55584992
3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50844096

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide?
The IUPAC name of N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide (CID 55602601) is N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide.
What is the SMILES notation for N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide?
The canonical SMILES for N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCc2nnc(-c3ccc(C)cc3)o2)c(C(C)=O)c1.
What is the InChIKey of N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide?
The InChIKey is BIJONXSSBQCHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-5-20(27)23-17-10-11-19(18(12-17)15(3)26)28-13-21-24-25-22(29-21)16-8-6-14(2)7-9-16/h6-12H,4-5,13H2,1-3H3,(H,23,27).
What are the key properties of N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide?
N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide has a molecular weight of 393.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]butanamide is sourced from PubChem (CID 55602601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).