N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide

C26H24N4O5 — CID 92900005

IUPACN-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(-c2nnc(COc3cccc(NC(=O)[C@@H](C)NC(=O)c4ccccc4)c3)o2)cc1
InChIInChI=1S/C26H24N4O5/c1-17(27-25(32)18-7-4-3-5-8-18)24(31)28-20-9-6-10-22(15-20)34-16-23-29-30-26(35-23)19-11-13-21(33-2)14-12-19/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31)/t17-/m1/s1
InChIKeyXPTARFVENWJSLU-QGZVFWFLSA-N
MW472.50 g/mol
LogP4.08
Rot. Bonds9

About N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide

N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 92900005) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide
PubChem CID92900005
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC NameN-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(-c2nnc(COc3cccc(NC(=O)[C@@H](C)NC(=O)c4ccccc4)c3)o2)cc1
InChIInChI=1S/C26H24N4O5/c1-17(27-25(32)18-7-4-3-5-8-18)24(31)28-20-9-6-10-22(15-20)34-16-23-29-30-26(35-23)19-11-13-21(33-2)14-12-19/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31)/t17-/m1/s1
InChIKeyXPTARFVENWJSLU-QGZVFWFLSA-N
XLogP4.08
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide
CID 50842053
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CID 50841846
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]furan-3-carboxamide
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4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554
1-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]indazole-3-carboxamide
CID 50842023
(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
2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 50844203

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide (CID 92900005) is N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide is COc1ccc(-c2nnc(COc3cccc(NC(=O)[C@@H](C)NC(=O)c4ccccc4)c3)o2)cc1.
What is the InChIKey of N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is XPTARFVENWJSLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-17(27-25(32)18-7-4-3-5-8-18)24(31)28-20-9-6-10-22(15-20)34-16-23-29-30-26(35-23)19-11-13-21(33-2)14-12-19/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide?
N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 472.50 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 92900005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).