N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide

C20H22N4O3 — CID 133317401

IUPACN-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CNc2nc(-c3cccc(OC)c3)no2)c1
InChIInChI=1S/C20H22N4O3/c1-3-6-18(25)22-16-9-4-7-14(11-16)13-21-20-23-19(24-27-20)15-8-5-10-17(12-15)26-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyLBTXBBWLEQYGTR-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.10
Rot. Bonds8

About N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide

N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide (PubChem CID 133317401) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide
PubChem CID133317401
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CNc2nc(-c3cccc(OC)c3)no2)c1
InChIInChI=1S/C20H22N4O3/c1-3-6-18(25)22-16-9-4-7-14(11-16)13-21-20-23-19(24-27-20)15-8-5-10-17(12-15)26-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyLBTXBBWLEQYGTR-UHFFFAOYSA-N
XLogP4.10
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 53041688
N-[3-[[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111249506
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231
3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133319455
1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 100746710
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid
CID 167809685
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide?
The IUPAC name of N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide (CID 133317401) is N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide.
What is the SMILES notation for N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide?
The canonical SMILES for N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide is CCCC(=O)Nc1cccc(CNc2nc(-c3cccc(OC)c3)no2)c1.
What is the InChIKey of N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide?
The InChIKey is LBTXBBWLEQYGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-6-18(25)22-16-9-4-7-14(11-16)13-21-20-23-19(24-27-20)15-8-5-10-17(12-15)26-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide?
N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide has a molecular weight of 366.42 g/mol, XLogP of 4.10, 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-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide is sourced from PubChem (CID 133317401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).