N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide

C23H24N4O4 — CID 46487349

IUPACN-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cc(NC(=O)C4CC4)ccc3C)n2)cc1
InChIInChI=1S/C23H24N4O4/c1-14-3-8-17(24-23(29)16-4-5-16)13-19(14)25-20(28)11-12-21-26-22(27-31-21)15-6-9-18(30-2)10-7-15/h3,6-10,13,16H,4-5,11-12H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyBGFJVDQUEXUKFP-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.97
Rot. Bonds8

About N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 46487349) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID46487349
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cc(NC(=O)C4CC4)ccc3C)n2)cc1
InChIInChI=1S/C23H24N4O4/c1-14-3-8-17(24-23(29)16-4-5-16)13-19(14)25-20(28)11-12-21-26-22(27-31-21)15-6-9-18(30-2)10-7-15/h3,6-10,13,16H,4-5,11-12H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyBGFJVDQUEXUKFP-UHFFFAOYSA-N
XLogP3.97
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148372
N-(3-chloro-4-methylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148617
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3239217
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
N-(5-bromo-2-methylphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55804444
N-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354549
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-(5-acetamido-2-methylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454649
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)propanamide
CID 100759355
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 16601007
4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 60546123

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide (CID 46487349) is N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide is COc1ccc(-c2noc(CCC(=O)Nc3cc(NC(=O)C4CC4)ccc3C)n2)cc1.
What is the InChIKey of N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is BGFJVDQUEXUKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-3-8-17(24-23(29)16-4-5-16)13-19(14)25-20(28)11-12-21-26-22(27-31-21)15-6-9-18(30-2)10-7-15/h3,6-10,13,16H,4-5,11-12H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46487349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).