N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide

C21H21N5O4 — CID 46494458

IUPACN-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)CCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H21N5O4/c22-17(27)13-24-20(29)15-8-6-14(7-9-15)12-23-18(28)10-11-19-25-26-21(30-19)16-4-2-1-3-5-16/h1-9H,10-13H2,(H2,22,27)(H,23,28)(H,24,29)
InChIKeyIISVVHQWKASLKN-UHFFFAOYSA-N
MW407.43 g/mol
LogP1.20
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide

N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide (PubChem CID 46494458) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
PubChem CID46494458
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)CCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H21N5O4/c22-17(27)13-24-20(29)15-8-6-14(7-9-15)12-23-18(28)10-11-19-25-26-21(30-19)16-4-2-1-3-5-16/h1-9H,10-13H2,(H2,22,27)(H,23,28)(H,24,29)
InChIKeyIISVVHQWKASLKN-UHFFFAOYSA-N
XLogP1.20
TPSA140.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
CID 46541686
N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46401361
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 17423614
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
CID 46494276
N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide (CID 46494458) is N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide is NC(=O)CNC(=O)c1ccc(CNC(=O)CCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide?
The InChIKey is IISVVHQWKASLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c22-17(27)13-24-20(29)15-8-6-14(7-9-15)12-23-18(28)10-11-19-25-26-21(30-19)16-4-2-1-3-5-16/h1-9H,10-13H2,(H2,22,27)(H,23,28)(H,24,29).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide has a molecular weight of 407.43 g/mol, XLogP of 1.20, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide is sourced from PubChem (CID 46494458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).