2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide

C21H23N3O3 — CID 9349769

IUPAC2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C21H23N3O3/c1-4-14(5-2)19(25)22-17-10-6-15(7-11-17)20-23-24-21(27-20)16-8-12-18(26-3)13-9-16/h6-14H,4-5H2,1-3H3,(H,22,25)
InChIKeyORXXTWGCZUDUQA-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.79
Rot. Bonds7

About 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide

2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide (PubChem CID 9349769) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide
PubChem CID9349769
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C21H23N3O3/c1-4-14(5-2)19(25)22-17-10-6-15(7-11-17)20-23-24-21(27-20)16-8-12-18(26-3)13-9-16/h6-14H,4-5H2,1-3H3,(H,22,25)
InChIKeyORXXTWGCZUDUQA-UHFFFAOYSA-N
XLogP4.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 880165
4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 743142
4-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 1380741
N,5-bis(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 49855566
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
5-(4-methoxyphenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 13901969
N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide (8c)
CID 122362928
N-(3-Chloro-phenyl)-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 648851
N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1071228
3-methoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1230972
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1294322
2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1301263

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide (CID 9349769) is 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide?
The InChIKey is ORXXTWGCZUDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-14(5-2)19(25)22-17-10-6-15(7-11-17)20-23-24-21(27-20)16-8-12-18(26-3)13-9-16/h6-14H,4-5H2,1-3H3,(H,22,25).
What are the key properties of 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide?
2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide has a molecular weight of 365.43 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]butanamide is sourced from PubChem (CID 9349769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).