N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide

C15H24N2O2S — CID 47018615

IUPACN-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SC(C)C(=O)NCC2CCCCC2)oc1C
InChIInChI=1S/C15H24N2O2S/c1-10-11(2)19-15(17-10)20-12(3)14(18)16-9-13-7-5-4-6-8-13/h12-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyMOGRLCVOHJDISS-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.47
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide

N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 47018615) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID47018615
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SC(C)C(=O)NCC2CCCCC2)oc1C
InChIInChI=1S/C15H24N2O2S/c1-10-11(2)19-15(17-10)20-12(3)14(18)16-9-13-7-5-4-6-8-13/h12-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyMOGRLCVOHJDISS-UHFFFAOYSA-N
XLogP3.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 47018615) is N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1nc(SC(C)C(=O)NCC2CCCCC2)oc1C.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is MOGRLCVOHJDISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-11(2)19-15(17-10)20-12(3)14(18)16-9-13-7-5-4-6-8-13/h12-13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 296.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 47018615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).