N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide

C17H23N3O3 — CID 51099056

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C17H23N3O3/c1-16(2,3)15-18-14(20-23-15)17(4,5)19-13(21)11-9-7-8-10-12(11)22-6/h7-10H,1-6H3,(H,19,21)
InChIKeyGFHKSNHORPESNU-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide (PubChem CID 51099056) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide
PubChem CID51099056
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C17H23N3O3/c1-16(2,3)15-18-14(20-23-15)17(4,5)19-13(21)11-9-7-8-10-12(11)22-6/h7-10H,1-6H3,(H,19,21)
InChIKeyGFHKSNHORPESNU-UHFFFAOYSA-N
XLogP3.04
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 71935688
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
CID 114308173
2-methoxy-N-(2-phenylbutan-2-yl)benzamide
CID 86899366
2-methoxybenzohydrazide
CID 24051
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110643559
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2,6-dimethoxy-N-(2-phenylpropan-2-yl)benzamide
CID 113091730
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143653
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide (CID 51099056) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide?
The InChIKey is GFHKSNHORPESNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-16(2,3)15-18-14(20-23-15)17(4,5)19-13(21)11-9-7-8-10-12(11)22-6/h7-10H,1-6H3,(H,19,21).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide has a molecular weight of 317.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 51099056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).