(2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide

C16H27N3O3S — CID 129351417

IUPAC(2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCC[C@@H](SC)C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C16H27N3O3S/c1-5-12(23-4)15(20)17-13(11-6-8-21-9-7-11)16-18-14(10(2)3)19-22-16/h10-13H,5-9H2,1-4H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyLOYFSQCUQIKPFC-CHWSQXEVSA-N
MW341.48 g/mol
LogP2.92
Rot. Bonds7

About (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide

(2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 129351417) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID129351417
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name(2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCC[C@@H](SC)C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C16H27N3O3S/c1-5-12(23-4)15(20)17-13(11-6-8-21-9-7-11)16-18-14(10(2)3)19-22-16/h10-13H,5-9H2,1-4H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyLOYFSQCUQIKPFC-CHWSQXEVSA-N
XLogP2.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 129351417) is (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is CC[C@@H](SC)C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1.
What is the InChIKey of (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is LOYFSQCUQIKPFC-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-5-12(23-4)15(20)17-13(11-6-8-21-9-7-11)16-18-14(10(2)3)19-22-16/h10-13H,5-9H2,1-4H3,(H,17,20)/t12-,13-/m1/s1.
What are the key properties of (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
(2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 341.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 129351417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).