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

C26H24N4O5 — CID 50842053

IUPACN-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(-c2nnc(COc3cccc(NC(=O)CNC(=O)Cc4ccccc4)c3)o2)cc1
InChIInChI=1S/C26H24N4O5/c1-33-21-12-10-19(11-13-21)26-30-29-25(35-26)17-34-22-9-5-8-20(15-22)28-24(32)16-27-23(31)14-18-6-3-2-4-7-18/h2-13,15H,14,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyKPKDUKDUDSSVDE-UHFFFAOYSA-N
MW472.50 g/mol
LogP3.62
Rot. Bonds10

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

N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 50842053) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide
PubChem CID50842053
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC NameN-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(-c2nnc(COc3cccc(NC(=O)CNC(=O)Cc4ccccc4)c3)o2)cc1
InChIInChI=1S/C26H24N4O5/c1-33-21-12-10-19(11-13-21)26-30-29-25(35-26)17-34-22-9-5-8-20(15-22)28-24(32)16-27-23(31)14-18-6-3-2-4-7-18/h2-13,15H,14,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyKPKDUKDUDSSVDE-UHFFFAOYSA-N
XLogP3.62
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide
CID 92900005
N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide
CID 50841846
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]furan-3-carboxamide
CID 50841969
(3R)-1-(4-methoxyphenyl)-N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92899994
N-[3-fluoro-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propanamide
CID 155812824
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide
CID 50841818
1-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]indazole-3-carboxamide
CID 50842023
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50843876
2-(3-methoxyphenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92599497

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide (CID 50842053) is N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide is COc1ccc(-c2nnc(COc3cccc(NC(=O)CNC(=O)Cc4ccccc4)c3)o2)cc1.
What is the InChIKey of N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is KPKDUKDUDSSVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-33-21-12-10-19(11-13-21)26-30-29-25(35-26)17-34-22-9-5-8-20(15-22)28-24(32)16-27-23(31)14-18-6-3-2-4-7-18/h2-13,15H,14,16-17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 472.50 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 50842053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).