N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide

C25H21ClN4O4 — CID 50844071

IUPACN-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1
InChIInChI=1S/C25H21ClN4O4/c1-16-2-4-17(5-3-16)24(32)27-14-22(31)28-20-10-12-21(13-11-20)33-15-23-29-30-25(34-23)18-6-8-19(26)9-7-18/h2-13H,14-15H2,1H3,(H,27,32)(H,28,31)
InChIKeyOLDISIQRWXQABD-UHFFFAOYSA-N
MW476.92 g/mol
LogP4.65
Rot. Bonds8

About N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide

N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 50844071) has the molecular formula C25H21ClN4O4 and a molecular weight of 476.92 g/mol. Its IUPAC name is N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
PubChem CID50844071
Molecular FormulaC25H21ClN4O4
Molecular Weight476.92 g/mol
Exact Mass476.13
IUPAC NameN-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1
InChIInChI=1S/C25H21ClN4O4/c1-16-2-4-17(5-3-16)24(32)27-14-22(31)28-20-10-12-21(13-11-20)33-15-23-29-30-25(34-23)18-6-8-19(26)9-7-18/h2-13H,14-15H2,1H3,(H,27,32)(H,28,31)
InChIKeyOLDISIQRWXQABD-UHFFFAOYSA-N
XLogP4.65
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50844096
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554
2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 50844203
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
2-[(4-chlorophenoxy)methyl]-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 38834490
ethyl 4-[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334685
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(4-chlorobenzoyl)amino]propanoate
CID 30518885
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide (CID 50844071) is N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1.
What is the InChIKey of N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is OLDISIQRWXQABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4/c1-16-2-4-17(5-3-16)24(32)27-14-22(31)28-20-10-12-21(13-11-20)33-15-23-29-30-25(34-23)18-6-8-19(26)9-7-18/h2-13H,14-15H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 476.92 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 50844071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).