(2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide

C17H21N3O5S — CID 110196895

IUPAC(2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H21N3O5S/c1-11-16(12(2)25-19-11)26(22,23)20-10-14(9-15(20)17(21)18-3)24-13-7-5-4-6-8-13/h4-8,14-15H,9-10H2,1-3H3,(H,18,21)/t14-,15+/m0/s1
InChIKeySHPNZDZNVZCVRA-LSDHHAIUSA-N
MW379.44 g/mol
LogP1.25
Rot. Bonds5

About (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide

(2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110196895) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110196895
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name(2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H21N3O5S/c1-11-16(12(2)25-19-11)26(22,23)20-10-14(9-15(20)17(21)18-3)24-13-7-5-4-6-8-13/h4-8,14-15H,9-10H2,1-3H3,(H,18,21)/t14-,15+/m0/s1
InChIKeySHPNZDZNVZCVRA-LSDHHAIUSA-N
XLogP1.25
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide (CID 110196895) is (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide is CNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is SHPNZDZNVZCVRA-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-11-16(12(2)25-19-11)26(22,23)20-10-14(9-15(20)17(21)18-3)24-13-7-5-4-6-8-13/h4-8,14-15H,9-10H2,1-3H3,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
(2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110196895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).