[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol

C10H15FN2O4S — CID 167767032

IUPAC[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(CS(=O)(=O)N2C[C@@H](F)C[C@H]2CO)no1
InChIInChI=1S/C10H15FN2O4S/c1-7-2-9(12-17-7)6-18(15,16)13-4-8(11)3-10(13)5-14/h2,8,10,14H,3-6H2,1H3/t8-,10-/m0/s1
InChIKeyDZXBREGOSNRYNR-WPRPVWTQSA-N
MW278.30 g/mol
LogP0.22
Rot. Bonds4

About [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 167767032) has the molecular formula C10H15FN2O4S and a molecular weight of 278.30 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol
PubChem CID167767032
Molecular FormulaC10H15FN2O4S
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(CS(=O)(=O)N2C[C@@H](F)C[C@H]2CO)no1
InChIInChI=1S/C10H15FN2O4S/c1-7-2-9(12-17-7)6-18(15,16)13-4-8(11)3-10(13)5-14/h2,8,10,14H,3-6H2,1H3/t8-,10-/m0/s1
InChIKeyDZXBREGOSNRYNR-WPRPVWTQSA-N
XLogP0.22
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol (CID 167767032) is [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol is Cc1cc(CS(=O)(=O)N2C[C@@H](F)C[C@H]2CO)no1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is DZXBREGOSNRYNR-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H15FN2O4S/c1-7-2-9(12-17-7)6-18(15,16)13-4-8(11)3-10(13)5-14/h2,8,10,14H,3-6H2,1H3/t8-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 278.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167767032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).