3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide

C17H23N3O3 — CID 87020082

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1O)C(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)16-18-14(23-19-16)9-10-15(22)20(4)11-12-7-5-6-8-13(12)21/h5-8,21H,9-11H2,1-4H3
InChIKeyBPSOCTGUOHDORI-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.66
Rot. Bonds5

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide (PubChem CID 87020082) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide
PubChem CID87020082
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1O)C(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)16-18-14(23-19-16)9-10-15(22)20(4)11-12-7-5-6-8-13(12)21/h5-8,21H,9-11H2,1-4H3
InChIKeyBPSOCTGUOHDORI-UHFFFAOYSA-N
XLogP2.66
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86982425
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-cyanophenyl)methyl]-N-methylpropanamide
CID 38496583
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 46439877
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740910
N-methyl-N-[(2-methylphenyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30533862
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 55897724
N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36702512
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 56814365
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55668527
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 110330721
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide (CID 87020082) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide is CN(Cc1ccccc1O)C(=O)CCc1nc(C(C)(C)C)no1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is BPSOCTGUOHDORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)16-18-14(23-19-16)9-10-15(22)20(4)11-12-7-5-6-8-13(12)21/h5-8,21H,9-11H2,1-4H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 2.66, 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-[(2-hydroxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 87020082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).