(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide

C18H26N4O3S — CID 52521080

IUPAC(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide
SMILESCC(C)[C@@H](C(=O)NCc1noc(-c2cccs2)n1)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C18H26N4O3S/c1-11(2)16(22-9-12(3)24-13(4)10-22)17(23)19-8-15-20-18(25-21-15)14-6-5-7-26-14/h5-7,11-13,16H,8-10H2,1-4H3,(H,19,23)/t12-,13-,16+/m1/s1
InChIKeyRJTRHIBYZOGFNI-IOASZLSFSA-N
MW378.50 g/mol
LogP2.55
Rot. Bonds6

About (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide (PubChem CID 52521080) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide
PubChem CID52521080
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide
SMILESCC(C)[C@@H](C(=O)NCc1noc(-c2cccs2)n1)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C18H26N4O3S/c1-11(2)16(22-9-12(3)24-13(4)10-22)17(23)19-8-15-20-18(25-21-15)14-6-5-7-26-14/h5-7,11-13,16H,8-10H2,1-4H3,(H,19,23)/t12-,13-,16+/m1/s1
InChIKeyRJTRHIBYZOGFNI-IOASZLSFSA-N
XLogP2.55
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide with MolForge

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Related Compounds

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CID 94800842
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The IUPAC name of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide (CID 52521080) is (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide is CC(C)[C@@H](C(=O)NCc1noc(-c2cccs2)n1)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The InChIKey is RJTRHIBYZOGFNI-IOASZLSFSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-11(2)16(22-9-12(3)24-13(4)10-22)17(23)19-8-15-20-18(25-21-15)14-6-5-7-26-14/h5-7,11-13,16H,8-10H2,1-4H3,(H,19,23)/t12-,13-,16+/m1/s1.
What are the key properties of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide has a molecular weight of 378.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide is sourced from PubChem (CID 52521080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).