(2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine

C18H23N3O5S — CID 129472017

IUPAC(2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCC(C)c1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CCO2)o1
InChIInChI=1S/C18H23N3O5S/c1-11(2)17-19-20-18(26-17)16-10-21(6-7-24-16)27(22,23)14-4-5-15-13(9-14)8-12(3)25-15/h4-5,9,11-12,16H,6-8,10H2,1-3H3/t12-,16-/m1/s1
InChIKeyHYEMBWCMXCHJIL-MLGOLLRUSA-N
MW393.47 g/mol
LogP2.28
Rot. Bonds4

About (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine

(2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 129472017) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID129472017
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name(2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCC(C)c1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CCO2)o1
InChIInChI=1S/C18H23N3O5S/c1-11(2)17-19-20-18(26-17)16-10-21(6-7-24-16)27(22,23)14-4-5-15-13(9-14)8-12(3)25-15/h4-5,9,11-12,16H,6-8,10H2,1-3H3/t12-,16-/m1/s1
InChIKeyHYEMBWCMXCHJIL-MLGOLLRUSA-N
XLogP2.28
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine (CID 129472017) is (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine is CC(C)c1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)CCO2)o1.
What is the InChIKey of (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is HYEMBWCMXCHJIL-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-11(2)17-19-20-18(26-17)16-10-21(6-7-24-16)27(22,23)14-4-5-15-13(9-14)8-12(3)25-15/h4-5,9,11-12,16H,6-8,10H2,1-3H3/t12-,16-/m1/s1.
What are the key properties of (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
(2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 393.47 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 129472017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).