N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide

C20H25N3O4 — CID 17463115

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC2(c3noc(C)n3)CCCCC2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-17(24)15-7-9-16(10-8-15)26-13-18(25)22-20(11-5-4-6-12-20)19-21-14(2)27-23-19/h7-10H,3-6,11-13H2,1-2H3,(H,22,25)
InChIKeyMSVSRIOBQOZHGQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.33
Rot. Bonds7

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 17463115) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID17463115
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC2(c3noc(C)n3)CCCCC2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-17(24)15-7-9-16(10-8-15)26-13-18(25)22-20(11-5-4-6-12-20)19-21-14(2)27-23-19/h7-10H,3-6,11-13H2,1-2H3,(H,22,25)
InChIKeyMSVSRIOBQOZHGQ-UHFFFAOYSA-N
XLogP3.33
TPSA94.32 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 60514358
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55537901
2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55672501
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
3-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]butanamide
CID 139009627
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide
CID 55972300
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 55528110
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71968872

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide (CID 17463115) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NC2(c3noc(C)n3)CCCCC2)cc1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is MSVSRIOBQOZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-17(24)15-7-9-16(10-8-15)26-13-18(25)22-20(11-5-4-6-12-20)19-21-14(2)27-23-19/h7-10H,3-6,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 17463115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).