N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C23H28N4O2 — CID 17480200

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC(C)N(CCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(C)C
InChIInChI=1S/C23H28N4O2/c1-16(2)27(17(3)4)15-14-24-21(28)18-10-12-20(13-11-18)23-26-25-22(29-23)19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,24,28)
InChIKeySXXNRRWMYYPXNV-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.25
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 17480200) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID17480200
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC(C)N(CCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(C)C
InChIInChI=1S/C23H28N4O2/c1-16(2)27(17(3)4)15-14-24-21(28)18-10-12-20(13-11-18)23-26-25-22(29-23)19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,24,28)
InChIKeySXXNRRWMYYPXNV-UHFFFAOYSA-N
XLogP4.25
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24607474
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 42033058
N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
4-(5-benzyl-1,3,4-oxadiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 21108809
N-[3-[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]propyl]benzamide;hydroiodide
CID 111246982
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681
ethyl 3-[[4-[[(1S)-2-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]amino]benzoyl]amino]propanoate
CID 146250208

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 17480200) is N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is CC(C)N(CCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is SXXNRRWMYYPXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(2)27(17(3)4)15-14-24-21(28)18-10-12-20(13-11-18)23-26-25-22(29-23)19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,24,28).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 392.50 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 17480200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).