3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide

C16H19F2N3O3 — CID 87031670

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
SMILESCOc1c(F)cc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1F
InChIInChI=1S/C16H19F2N3O3/c1-16(2,3)15-20-13(24-21-15)6-5-12(22)19-9-7-10(17)14(23-4)11(18)8-9/h7-8H,5-6H2,1-4H3,(H,19,22)
InChIKeyMDCAYGCECYZLKZ-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.23
Rot. Bonds5

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide (PubChem CID 87031670) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
PubChem CID87031670
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
SMILESCOc1c(F)cc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1F
InChIInChI=1S/C16H19F2N3O3/c1-16(2,3)15-20-13(24-21-15)6-5-12(22)19-9-7-10(17)14(23-4)11(18)8-9/h7-8H,5-6H2,1-4H3,(H,19,22)
InChIKeyMDCAYGCECYZLKZ-UHFFFAOYSA-N
XLogP3.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87001782
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952741
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]butanamide
CID 55891133
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046869
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 78869873
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide (CID 87031670) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide is COc1c(F)cc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1F.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide?
The InChIKey is MDCAYGCECYZLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-16(2,3)15-20-13(24-21-15)6-5-12(22)19-9-7-10(17)14(23-4)11(18)8-9/h7-8H,5-6H2,1-4H3,(H,19,22).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide has a molecular weight of 339.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 87031670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).