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

C18H25N3O2 — CID 3159510

IUPAC3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C18H25N3O2/c1-12(2)19-15(22)10-11-16-20-17(21-23-16)13-6-8-14(9-7-13)18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)
InChIKeyRXBXXUMZQZVXJT-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.49
Rot. Bonds5

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

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide (PubChem CID 3159510) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
PubChem CID3159510
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C18H25N3O2/c1-12(2)19-15(22)10-11-16-20-17(21-23-16)13-6-8-14(9-7-13)18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)
InChIKeyRXBXXUMZQZVXJT-UHFFFAOYSA-N
XLogP3.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
CID 50994059
4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 49837853
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271599
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
CID 1860472
N-cyclopentyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1945989
N-Cyclopentyl-4-(3-m-tolyl-[1,2,4]oxadiazol-5-yl)-butyramide
CID 2983721
N-cyclopentyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 3160269
N-cyclohexyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160344
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
CID 1250477
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
(2S,3S)-2-amino-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)butan-1-one
CID 23645686

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide (CID 3159510) is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The InChIKey is RXBXXUMZQZVXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)19-15(22)10-11-16-20-17(21-23-16)13-6-8-14(9-7-13)18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22).
What are the key properties of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 3159510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).