2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide

C16H25N3O4S — CID 143964708

IUPAC2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
SMILESCC(C)(SC1CCOCC1)C(=O)Nc1cc(C(C)(C)C(N)=O)no1
InChIInChI=1S/C16H25N3O4S/c1-15(2,13(17)20)11-9-12(23-19-11)18-14(21)16(3,4)24-10-5-7-22-8-6-10/h9-10H,5-8H2,1-4H3,(H2,17,20)(H,18,21)
InChIKeyCRGKRZNKOZCHKY-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.07
Rot. Bonds6

About 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide

2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide (PubChem CID 143964708) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
PubChem CID143964708
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
SMILESCC(C)(SC1CCOCC1)C(=O)Nc1cc(C(C)(C)C(N)=O)no1
InChIInChI=1S/C16H25N3O4S/c1-15(2,13(17)20)11-9-12(23-19-11)18-14(21)16(3,4)24-10-5-7-22-8-6-10/h9-10H,5-8H2,1-4H3,(H2,17,20)(H,18,21)
InChIKeyCRGKRZNKOZCHKY-UHFFFAOYSA-N
XLogP2.07
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide with MolForge

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Related Compounds

2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide
CID 90801928
4-tert-butylsulfanyloxane;2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid
CID 143964814
methyl 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanoate
CID 56603323
2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide
CID 163881817
N-[3-(3-hydroxy-2-methylpentan-2-yl)-2-methyl-1,2-oxazol-2-ium-5-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
CID 91418330
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2,2-dimethyl-3-(oxan-4-ylsulfonyl)propanamide
CID 163430822
N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide
CID 143964909
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-morpholin-4-ylsulfonylpropanamide
CID 68732117
N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
CID 136617395
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide
CID 54770586
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 59253303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide?
The IUPAC name of 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide (CID 143964708) is 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide is CC(C)(SC1CCOCC1)C(=O)Nc1cc(C(C)(C)C(N)=O)no1.
What is the InChIKey of 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide?
The InChIKey is CRGKRZNKOZCHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-15(2,13(17)20)11-9-12(23-19-11)18-14(21)16(3,4)24-10-5-7-22-8-6-10/h9-10H,5-8H2,1-4H3,(H2,17,20)(H,18,21).
What are the key properties of 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide?
2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 143964708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).