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

C16H20FN3O2 — CID 51099069

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
SMILESCC(C)(C)c1nc(C(C)(C)NC(=O)c2cccc(F)c2)no1
InChIInChI=1S/C16H20FN3O2/c1-15(2,3)14-18-13(20-22-14)16(4,5)19-12(21)10-7-6-8-11(17)9-10/h6-9H,1-5H3,(H,19,21)
InChIKeyUEUDGEHEBCFCKA-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.17
Rot. Bonds3

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

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide (PubChem CID 51099069) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
PubChem CID51099069
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
SMILESCC(C)(C)c1nc(C(C)(C)NC(=O)c2cccc(F)c2)no1
InChIInChI=1S/C16H20FN3O2/c1-15(2,3)14-18-13(20-22-14)16(4,5)19-12(21)10-7-6-8-11(17)9-10/h6-9H,1-5H3,(H,19,21)
InChIKeyUEUDGEHEBCFCKA-UHFFFAOYSA-N
XLogP3.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methoxybenzamide
CID 51099056
3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 110472495
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 71882698
N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 146088960
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 51099059
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 167881463
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 120835013
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide (CID 51099069) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide is CC(C)(C)c1nc(C(C)(C)NC(=O)c2cccc(F)c2)no1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide?
The InChIKey is UEUDGEHEBCFCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-15(2,3)14-18-13(20-22-14)16(4,5)19-12(21)10-7-6-8-11(17)9-10/h6-9H,1-5H3,(H,19,21).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide has a molecular weight of 305.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3-fluorobenzamide is sourced from PubChem (CID 51099069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).