3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide

C16H28N2O2 — CID 102914904

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C16H28N2O2/c1-10(2)15(11(3)4)9-17-16(19)8-7-14-12(5)18-20-13(14)6/h10-11,15H,7-9H2,1-6H3,(H,17,19)
InChIKeyZLUMLYBXLMSXIC-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.27
Rot. Bonds7

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide (PubChem CID 102914904) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
PubChem CID102914904
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C16H28N2O2/c1-10(2)15(11(3)4)9-17-16(19)8-7-14-12(5)18-20-13(14)6/h10-11,15H,7-9H2,1-6H3,(H,17,19)
InChIKeyZLUMLYBXLMSXIC-UHFFFAOYSA-N
XLogP3.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylamino)propyl]propanamide
CID 120828813
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031474
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252751
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 86908068
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598726
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686148
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43238767
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 86985319
(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid
CID 78975515
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111110980
(2S,3S)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylpentanoic acid
CID 61132680

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide (CID 102914904) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide is Cc1noc(C)c1CCC(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The InChIKey is ZLUMLYBXLMSXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-10(2)15(11(3)4)9-17-16(19)8-7-14-12(5)18-20-13(14)6/h10-11,15H,7-9H2,1-6H3,(H,17,19).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide has a molecular weight of 280.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide is sourced from PubChem (CID 102914904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).