(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C15H20N4O4S — CID 124960336

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C15H20N4O4S/c1-4-11-13(9(2)23-18-11)15(20)19-6-5-10(8-19)14-12(7-16-17-14)24(3,21)22/h7,10H,4-6,8H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyGTVKENBYLDGGHF-SNVBAGLBSA-N
MW352.42 g/mol
LogP1.30
Rot. Bonds4

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 124960336) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID124960336
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C15H20N4O4S/c1-4-11-13(9(2)23-18-11)15(20)19-6-5-10(8-19)14-12(7-16-17-14)24(3,21)22/h7,10H,4-6,8H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyGTVKENBYLDGGHF-SNVBAGLBSA-N
XLogP1.30
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 124960336) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GTVKENBYLDGGHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-4-11-13(9(2)23-18-11)15(20)19-6-5-10(8-19)14-12(7-16-17-14)24(3,21)22/h7,10H,4-6,8H2,1-3H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 352.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124960336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).