N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide

C20H21ClN4O3 — CID 8816381

IUPACN-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide
SMILESCOc1ccc(-c2nnc([C@H](C)N(C)CC(=O)Nc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C20H21ClN4O3/c1-13(25(2)12-18(26)22-16-8-6-15(21)7-9-16)19-23-24-20(28-19)14-4-10-17(27-3)11-5-14/h4-11,13H,12H2,1-3H3,(H,22,26)/t13-/m0/s1
InChIKeyWAUVSQOWBYWATH-ZDUSSCGKSA-N
MW400.87 g/mol
LogP4.03
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide

N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide (PubChem CID 8816381) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide
PubChem CID8816381
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide
SMILESCOc1ccc(-c2nnc([C@H](C)N(C)CC(=O)Nc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C20H21ClN4O3/c1-13(25(2)12-18(26)22-16-8-6-15(21)7-9-16)19-23-24-20(28-19)14-4-10-17(27-3)11-5-14/h4-11,13H,12H2,1-3H3,(H,22,26)/t13-/m0/s1
InChIKeyWAUVSQOWBYWATH-ZDUSSCGKSA-N
XLogP4.03
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylazanium
CID 8816386
N-(3-methoxyphenyl)-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8556130
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chlorophenoxy)acetate
CID 9229442
2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 40880670
2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410520
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide
CID 94812590
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 8578381
2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 17359055
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
N-(4-bromo-2-methylphenyl)-2-[methyl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 55387396
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide (CID 8816381) is N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide is COc1ccc(-c2nnc([C@H](C)N(C)CC(=O)Nc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide?
The InChIKey is WAUVSQOWBYWATH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-13(25(2)12-18(26)22-16-8-6-15(21)7-9-16)19-23-24-20(28-19)14-4-10-17(27-3)11-5-14/h4-11,13H,12H2,1-3H3,(H,22,26)/t13-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide?
N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide has a molecular weight of 400.87 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide is sourced from PubChem (CID 8816381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).