(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol

C18H21N3O5S — CID 129471853

IUPAC(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol
SMILESC[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@](O)(c4nc(C5CC5)no4)C3)ccc2O1
InChIInChI=1S/C18H21N3O5S/c1-11-8-13-9-14(4-5-15(13)25-11)27(23,24)21-7-6-18(22,10-21)17-19-16(20-26-17)12-2-3-12/h4-5,9,11-12,22H,2-3,6-8,10H2,1H3/t11-,18-/m1/s1
InChIKeyCVGCMAMRHDYAFQ-ADLMAVQZSA-N
MW391.45 g/mol
LogP1.55
Rot. Bonds4

About (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol

(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol (PubChem CID 129471853) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol
PubChem CID129471853
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol
SMILESC[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@](O)(c4nc(C5CC5)no4)C3)ccc2O1
InChIInChI=1S/C18H21N3O5S/c1-11-8-13-9-14(4-5-15(13)25-11)27(23,24)21-7-6-18(22,10-21)17-19-16(20-26-17)12-2-3-12/h4-5,9,11-12,22H,2-3,6-8,10H2,1H3/t11-,18-/m1/s1
InChIKeyCVGCMAMRHDYAFQ-ADLMAVQZSA-N
XLogP1.55
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol (CID 129471853) is (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol is C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@](O)(c4nc(C5CC5)no4)C3)ccc2O1.
What is the InChIKey of (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol?
The InChIKey is CVGCMAMRHDYAFQ-ADLMAVQZSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-11-8-13-9-14(4-5-15(13)25-11)27(23,24)21-7-6-18(22,10-21)17-19-16(20-26-17)12-2-3-12/h4-5,9,11-12,22H,2-3,6-8,10H2,1H3/t11-,18-/m1/s1.
What are the key properties of (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol?
(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol has a molecular weight of 391.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 129471853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).