4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide

C16H29N3O3 — CID 111484432

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
SMILESCC(C)C(C)(O)CNC(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C16H29N3O3/c1-11(2)16(6,21)10-17-12(20)8-7-9-13-18-14(19-22-13)15(3,4)5/h11,21H,7-10H2,1-6H3,(H,17,20)
InChIKeyQSIFALTZFICWNC-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.21
Rot. Bonds7

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide (PubChem CID 111484432) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
PubChem CID111484432
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
SMILESCC(C)C(C)(O)CNC(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C16H29N3O3/c1-11(2)16(6,21)10-17-12(20)8-7-9-13-18-14(19-22-13)15(3,4)5/h11,21H,7-10H2,1-6H3,(H,17,20)
InChIKeyQSIFALTZFICWNC-UHFFFAOYSA-N
XLogP2.21
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120507692
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 38486973
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119463876
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36559759
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999755
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478368
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-[(4-methoxyphenyl)methoxy]ethyl]butanamide
CID 75399285
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 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide (CID 111484432) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide is CC(C)C(C)(O)CNC(=O)CCCc1nc(C(C)(C)C)no1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide?
The InChIKey is QSIFALTZFICWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-11(2)16(6,21)10-17-12(20)8-7-9-13-18-14(19-22-13)15(3,4)5/h11,21H,7-10H2,1-6H3,(H,17,20).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide is sourced from PubChem (CID 111484432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).