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

C22H25N5O2 — CID 59643509

IUPACN-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)C1
InChIInChI=1S/C22H25N5O2/c1-26(2)19-12-13-27(15-19)18-10-8-16(9-11-18)21-24-20(29-25-21)14-23-22(28)17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,23,28)
InChIKeyQDPMWASFHAZVBN-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.81
Rot. Bonds6

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

N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 59643509) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID59643509
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)C1
InChIInChI=1S/C22H25N5O2/c1-26(2)19-12-13-27(15-19)18-10-8-16(9-11-18)21-24-20(29-25-21)14-23-22(28)17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,23,28)
InChIKeyQDPMWASFHAZVBN-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 68574706
1-[4-[5-[[(4-chlorophenyl)methylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 59643556
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112573
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
1-(6-methylpyridazin-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121119074
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828059
(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153820
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 70725512
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 53005791

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 59643509) is N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)C1.
What is the InChIKey of N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is QDPMWASFHAZVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26(2)19-12-13-27(15-19)18-10-8-16(9-11-18)21-24-20(29-25-21)14-23-22(28)17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,23,28).
What are the key properties of N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 59643509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).