2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide

C16H24N2O2S — CID 71231739

IUPAC2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide
SMILESCC(C)(SCC1CCC1)C(=O)Nc1cc(C2CCC2)no1
InChIInChI=1S/C16H24N2O2S/c1-16(2,21-10-11-5-3-6-11)15(19)17-14-9-13(18-20-14)12-7-4-8-12/h9,11-12H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyXZEFPPHLMZTPNM-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.19
Rot. Bonds6

About 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide

2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide (PubChem CID 71231739) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide
PubChem CID71231739
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide
SMILESCC(C)(SCC1CCC1)C(=O)Nc1cc(C2CCC2)no1
InChIInChI=1S/C16H24N2O2S/c1-16(2,21-10-11-5-3-6-11)15(19)17-14-9-13(18-20-14)12-7-4-8-12/h9,11-12H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyXZEFPPHLMZTPNM-UHFFFAOYSA-N
XLogP4.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide
CID 45111192
tert-butyl 3-[(3-cyclohexyl-1,2-oxazol-5-yl)carbamoyl]-2-methyloctanoate
CID 91167375
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
CID 59703974
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
2-methyl-2-(oxan-4-ylmethylsulfanyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 88956066
1-(3-cyclobutyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 83845888
2-(3-cyclobutyl-1,2-oxazol-5-yl)propan-2-amine
CID 83846539
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
CID 59703925
2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfanyl)propanamide
CID 91453324
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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide?
The IUPAC name of 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide (CID 71231739) is 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide is CC(C)(SCC1CCC1)C(=O)Nc1cc(C2CCC2)no1.
What is the InChIKey of 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide?
The InChIKey is XZEFPPHLMZTPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,21-10-11-5-3-6-11)15(19)17-14-9-13(18-20-14)12-7-4-8-12/h9,11-12H,3-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide?
2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 71231739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).