N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C17H27N3O2 — CID 124881503

IUPACN-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc([C@@H]2CCC[C@@H]3CCCC[C@@H]32)n1
InChIInChI=1S/C17H27N3O2/c1-11(21)19-17(2,3)16-18-15(22-20-16)14-10-6-8-12-7-4-5-9-13(12)14/h12-14H,4-10H2,1-3H3,(H,19,21)/t12-,13-,14+/m0/s1
InChIKeyVMQWVBGWXWHJGD-MELADBBJSA-N
MW305.42 g/mol
LogP3.51
Rot. Bonds3

About N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 124881503) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID124881503
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc([C@@H]2CCC[C@@H]3CCCC[C@@H]32)n1
InChIInChI=1S/C17H27N3O2/c1-11(21)19-17(2,3)16-18-15(22-20-16)14-10-6-8-12-7-4-5-9-13(12)14/h12-14H,4-10H2,1-3H3,(H,19,21)/t12-,13-,14+/m0/s1
InChIKeyVMQWVBGWXWHJGD-MELADBBJSA-N
XLogP3.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide with MolForge

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Related Compounds

N-[2-[5-[(1R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 124881505
N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71970083
5-(7-bicyclo[4.1.0]heptanyl)-3-tert-butyl-1,2,4-oxadiazole
CID 102559233
N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 126830986
N-[2-[5-[(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 97027772
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclopentan-1-amine
CID 55201257
N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
CID 120834554
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116733636
tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077840
N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 136515906
N-[2-[5-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 99838294
N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
CID 120834493

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 124881503) is N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc([C@@H]2CCC[C@@H]3CCCC[C@@H]32)n1.
What is the InChIKey of N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is VMQWVBGWXWHJGD-MELADBBJSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(21)19-17(2,3)16-18-15(22-20-16)14-10-6-8-12-7-4-5-9-13(12)14/h12-14H,4-10H2,1-3H3,(H,19,21)/t12-,13-,14+/m0/s1.
What are the key properties of N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 124881503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).