N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide

C15H24N2O2S — CID 56817049

IUPACN-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide
SMILESCc1cc(CSC(C)C(=O)NCC2CCCCC2)on1
InChIInChI=1S/C15H24N2O2S/c1-11-8-14(19-17-11)10-20-12(2)15(18)16-9-13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3,(H,16,18)
InChIKeyXVGCWDDCKTYKQI-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.30
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide

N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide (PubChem CID 56817049) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide
PubChem CID56817049
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide
SMILESCc1cc(CSC(C)C(=O)NCC2CCCCC2)on1
InChIInChI=1S/C15H24N2O2S/c1-11-8-14(19-17-11)10-20-12(2)15(18)16-9-13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3,(H,16,18)
InChIKeyXVGCWDDCKTYKQI-UHFFFAOYSA-N
XLogP3.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 95599700
3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]butan-2-ol
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N-(cyclopentylmethyl)-2-methylpropanamide
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N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]acetamide
CID 25380722
N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide (CID 56817049) is N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide is Cc1cc(CSC(C)C(=O)NCC2CCCCC2)on1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is XVGCWDDCKTYKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-8-14(19-17-11)10-20-12(2)15(18)16-9-13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide?
N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 296.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 56817049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).