N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide

C16H23N3O3 — CID 138004605

IUPACN-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
SMILESCCC(C(=O)Nc1nc(C(C)(C)C)co1)c1c(C)noc1C
InChIInChI=1S/C16H23N3O3/c1-7-11(13-9(2)19-22-10(13)3)14(20)18-15-17-12(8-21-15)16(4,5)6/h8,11H,7H2,1-6H3,(H,17,18,20)
InChIKeyCAYHWEDYHLDWMT-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.71
Rot. Bonds4

About N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide

N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide (PubChem CID 138004605) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
PubChem CID138004605
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
SMILESCCC(C(=O)Nc1nc(C(C)(C)C)co1)c1c(C)noc1C
InChIInChI=1S/C16H23N3O3/c1-7-11(13-9(2)19-22-10(13)3)14(20)18-15-17-12(8-21-15)16(4,5)6/h8,11H,7H2,1-6H3,(H,17,18,20)
InChIKeyCAYHWEDYHLDWMT-UHFFFAOYSA-N
XLogP3.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-1,2-oxazol-3-yl)butanamide
CID 132970595
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
N-(4-tert-butyl-1,3-oxazol-2-yl)-2-cyclopropylpropanamide
CID 167992732
N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide
CID 95977615
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide
CID 154739095
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-nitrophenyl)butanamide
CID 95977922
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide
CID 52510455
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 95977617
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]butanamide
CID 95285859
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 75469343
N-(4-ethyl-1,3-oxazol-2-yl)-2-methylpropanamide
CID 130009737
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 75469342

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
The IUPAC name of N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide (CID 138004605) is N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide is CCC(C(=O)Nc1nc(C(C)(C)C)co1)c1c(C)noc1C.
What is the InChIKey of N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
The InChIKey is CAYHWEDYHLDWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-7-11(13-9(2)19-22-10(13)3)14(20)18-15-17-12(8-21-15)16(4,5)6/h8,11H,7H2,1-6H3,(H,17,18,20).
What are the key properties of N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide?
N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide has a molecular weight of 305.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanamide is sourced from PubChem (CID 138004605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).