N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide

C19H25N3O5 — CID 129337758

IUPACN-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
SMILESCOc1ccc(Cc2noc([C@H](NC(C)=O)C3CCOCC3)n2)cc1OC
InChIInChI=1S/C19H25N3O5/c1-12(23)20-18(14-6-8-26-9-7-14)19-21-17(22-27-19)11-13-4-5-15(24-2)16(10-13)25-3/h4-5,10,14,18H,6-9,11H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeySRXPTBNZVPLUSC-GOSISDBHSA-N
MW375.43 g/mol
LogP2.28
Rot. Bonds7

About N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide

N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide (PubChem CID 129337758) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
PubChem CID129337758
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
SMILESCOc1ccc(Cc2noc([C@H](NC(C)=O)C3CCOCC3)n2)cc1OC
InChIInChI=1S/C19H25N3O5/c1-12(23)20-18(14-6-8-26-9-7-14)19-21-17(22-27-19)11-13-4-5-15(24-2)16(10-13)25-3/h4-5,10,14,18H,6-9,11H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeySRXPTBNZVPLUSC-GOSISDBHSA-N
XLogP2.28
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 128994619
N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 129341672
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103822484
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915242
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 55096339
ethyl 3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63357944
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)propanamide
CID 66750690
3-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 60863892
3-[(3,4-dimethoxyphenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948333
[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 119948324
2-(6-methyl-3-pyridinyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 129473159
3-[(3,4-dimethoxyphenyl)methyl]-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 128995179

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
The IUPAC name of N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide (CID 129337758) is N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
The canonical SMILES for N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide is COc1ccc(Cc2noc([C@H](NC(C)=O)C3CCOCC3)n2)cc1OC.
What is the InChIKey of N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
The InChIKey is SRXPTBNZVPLUSC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-12(23)20-18(14-6-8-26-9-7-14)19-21-17(22-27-19)11-13-4-5-15(24-2)16(10-13)25-3/h4-5,10,14,18H,6-9,11H2,1-3H3,(H,20,23)/t18-/m1/s1.
What are the key properties of N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide is sourced from PubChem (CID 129337758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).