N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C24H27N3O3 — CID 133186701

IUPACN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C24H27N3O3/c1-3-21(29-19-13-12-17-9-5-6-10-18(17)14-19)24(28)25-15-22-26-23(27-30-22)20-11-7-4-8-16(20)2/h4,7-8,11-14,21H,3,5-6,9-10,15H2,1-2H3,(H,25,28)
InChIKeyCXGRLMCJXHAIEC-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.40
Rot. Bonds7

About N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133186701) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133186701
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C24H27N3O3/c1-3-21(29-19-13-12-17-9-5-6-10-18(17)14-19)24(28)25-15-22-26-23(27-30-22)20-11-7-4-8-16(20)2/h4,7-8,11-14,21H,3,5-6,9-10,15H2,1-2H3,(H,25,28)
InChIKeyCXGRLMCJXHAIEC-UHFFFAOYSA-N
XLogP4.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200424
(2R)-N-[2-(2-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100549342
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
N-(furan-2-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133231084
(2S)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100576109
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,5-dimethylphenoxy)butanamide
CID 132661143
2-(4-chloro-3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132661134
(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100700382
2-(4-methoxyphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132657251
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(furan-2-ylmethyl)butanamide
CID 45148077

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133186701) is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccccc2C)no1.
What is the InChIKey of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is CXGRLMCJXHAIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-21(29-19-13-12-17-9-5-6-10-18(17)14-19)24(28)25-15-22-26-23(27-30-22)20-11-7-4-8-16(20)2/h4,7-8,11-14,21H,3,5-6,9-10,15H2,1-2H3,(H,25,28).
What are the key properties of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 405.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133186701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).