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

C16H24N2O4S — CID 90801928

IUPAC2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide
SMILESCC(C)(SC1CCOCC1)C(=O)Nc1cc(C2CCOC2)no1
InChIInChI=1S/C16H24N2O4S/c1-16(2,23-12-4-7-20-8-5-12)15(19)17-14-9-13(18-22-14)11-3-6-21-10-11/h9,11-12H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyHPPSKXCKHMOWPI-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.81
Rot. Bonds5

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

2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide (PubChem CID 90801928) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide
PubChem CID90801928
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide
SMILESCC(C)(SC1CCOCC1)C(=O)Nc1cc(C2CCOC2)no1
InChIInChI=1S/C16H24N2O4S/c1-16(2,23-12-4-7-20-8-5-12)15(19)17-14-9-13(18-22-14)11-3-6-21-10-11/h9,11-12H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyHPPSKXCKHMOWPI-UHFFFAOYSA-N
XLogP2.81
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
CID 143964708
2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide
CID 45111192
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
2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide
CID 163881817
[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol
CID 45099358
N-[7-(3,3-dimethylbutyl)-6-methyl-5,6-dihydro-4H-diazepin-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
CID 123789238
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
4-tert-butylsulfanyloxane;2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid
CID 143964814
N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
CID 136617395
3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide
CID 110234794
methyl 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanoate
CID 56603323
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide (CID 90801928) is 2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide is CC(C)(SC1CCOCC1)C(=O)Nc1cc(C2CCOC2)no1.
What is the InChIKey of 2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is HPPSKXCKHMOWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,23-12-4-7-20-8-5-12)15(19)17-14-9-13(18-22-14)11-3-6-21-10-11/h9,11-12H,3-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide?
2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 340.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 90801928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).