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

C15H24N2O2S — CID 94186139

IUPAC(2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(S[C@H](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)/t12-/m1/s1
InChIKeyMOGRLCVOHJDISS-GFCCVEGCSA-N
MW296.44 g/mol
LogP3.47
Rot. Bonds5

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

(2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 94186139) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID94186139
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(S[C@H](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)/t12-/m1/s1
InChIKeyMOGRLCVOHJDISS-GFCCVEGCSA-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 (2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 94186139) is (2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1nc(S[C@H](C)C(=O)NCC2CCCCC2)oc1C.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is MOGRLCVOHJDISS-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
(2R)-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 (2R)-N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 94186139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).