4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C22H25N5O2 — CID 53159586

IUPAC4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NC(c2ccccc2)c2nnc(N3CCCC3)o2)cc1
InChIInChI=1S/C22H25N5O2/c1-26(2)18-12-10-17(11-13-18)20(28)23-19(16-8-4-3-5-9-16)21-24-25-22(29-21)27-14-6-7-15-27/h3-5,8-13,19H,6-7,14-15H2,1-2H3,(H,23,28)
InChIKeyWZOLJYXMXDRMJN-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.26
Rot. Bonds6

About 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 53159586) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID53159586
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NC(c2ccccc2)c2nnc(N3CCCC3)o2)cc1
InChIInChI=1S/C22H25N5O2/c1-26(2)18-12-10-17(11-13-18)20(28)23-19(16-8-4-3-5-9-16)21-24-25-22(29-21)27-14-6-7-15-27/h3-5,8-13,19H,6-7,14-15H2,1-2H3,(H,23,28)
InChIKeyWZOLJYXMXDRMJN-UHFFFAOYSA-N
XLogP3.26
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099739
N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 95099783
3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159600
3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159657
3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159662
2-methyl-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159686
2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099897
2-bromo-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159583
N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclobutanecarboxamide
CID 95099882
2-ethoxy-N-[(R)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099750
2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099799
2,5-difluoro-N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099906

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 53159586) is 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is CN(C)c1ccc(C(=O)NC(c2ccccc2)c2nnc(N3CCCC3)o2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is WZOLJYXMXDRMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26(2)18-12-10-17(11-13-18)20(28)23-19(16-8-4-3-5-9-16)21-24-25-22(29-21)27-14-6-7-15-27/h3-5,8-13,19H,6-7,14-15H2,1-2H3,(H,23,28).
What are the key properties of 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 53159586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).