2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide

C20H25N3O4 — CID 55528110

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)NC2(c3noc(C)n3)CCCC2)c(OC)c1
InChIInChI=1S/C20H25N3O4/c1-4-7-15-8-9-16(17(12-15)25-3)26-13-18(24)22-20(10-5-6-11-20)19-21-14(2)27-23-19/h4,7-9,12H,5-6,10-11,13H2,1-3H3,(H,22,24)/b7-4+
InChIKeyRHRVJPCQPUEKCN-QPJJXVBHSA-N
MW371.44 g/mol
LogP3.38
Rot. Bonds7

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide (PubChem CID 55528110) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
PubChem CID55528110
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)NC2(c3noc(C)n3)CCCC2)c(OC)c1
InChIInChI=1S/C20H25N3O4/c1-4-7-15-8-9-16(17(12-15)25-3)26-13-18(24)22-20(10-5-6-11-20)19-21-14(2)27-23-19/h4,7-9,12H,5-6,10-11,13H2,1-3H3,(H,22,24)/b7-4+
InChIKeyRHRVJPCQPUEKCN-QPJJXVBHSA-N
XLogP3.38
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]prop-2-enamide
CID 55980856
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55672305
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide
CID 17463115
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 31056787
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 39603297
N-(5-chloro-2-methoxyphenyl)-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetamide
CID 47075222
N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 78857545
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide (CID 55528110) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide is C/C=C/c1ccc(OCC(=O)NC2(c3noc(C)n3)CCCC2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The InChIKey is RHRVJPCQPUEKCN-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-7-15-8-9-16(17(12-15)25-3)26-13-18(24)22-20(10-5-6-11-20)19-21-14(2)27-23-19/h4,7-9,12H,5-6,10-11,13H2,1-3H3,(H,22,24)/b7-4+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide is sourced from PubChem (CID 55528110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).