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

C24H27N5O4 — CID 46494276

IUPACN-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)n2)cc1
InChIInChI=1S/C24H27N5O4/c1-15(2)17-7-9-18(10-8-17)23-28-22(33-29-23)12-11-21(31)26-13-16-3-5-19(6-4-16)24(32)27-14-20(25)30/h3-10,15H,11-14H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)
InChIKeyHBRRJVCLMHMIDE-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.32
Rot. Bonds10

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

N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide (PubChem CID 46494276) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
PubChem CID46494276
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)n2)cc1
InChIInChI=1S/C24H27N5O4/c1-15(2)17-7-9-18(10-8-17)23-28-22(33-29-23)12-11-21(31)26-13-16-3-5-19(6-4-16)24(32)27-14-20(25)30/h3-10,15H,11-14H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)
InChIKeyHBRRJVCLMHMIDE-UHFFFAOYSA-N
XLogP2.32
TPSA140.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31064361
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55662648
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-[(2-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30329305
N-[2-oxo-2-(propylamino)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35354145
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55693843
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 100759222
N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 111444896
5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]pentanoic acid
CID 119234607
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55710020

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide (CID 46494276) is N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide is CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)n2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide?
The InChIKey is HBRRJVCLMHMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-15(2)17-7-9-18(10-8-17)23-28-22(33-29-23)12-11-21(31)26-13-16-3-5-19(6-4-16)24(32)27-14-20(25)30/h3-10,15H,11-14H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 2.32, 10 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-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide is sourced from PubChem (CID 46494276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).