N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C10H15N3O5S — CID 110133085

IUPACN-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1ncoc1C(=O)N1C[C@@H](O)[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C10H15N3O5S/c1-6-9(18-5-11-6)10(15)13-3-7(8(14)4-13)12-19(2,16)17/h5,7-8,12,14H,3-4H2,1-2H3/t7-,8-/m1/s1
InChIKeyCXJPXJDVFPDOEZ-HTQZYQBOSA-N
MW289.31 g/mol
LogP-1.28
Rot. Bonds3

About N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 110133085) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID110133085
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1ncoc1C(=O)N1C[C@@H](O)[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C10H15N3O5S/c1-6-9(18-5-11-6)10(15)13-3-7(8(14)4-13)12-19(2,16)17/h5,7-8,12,14H,3-4H2,1-2H3/t7-,8-/m1/s1
InChIKeyCXJPXJDVFPDOEZ-HTQZYQBOSA-N
XLogP-1.28
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 110133085) is N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide is Cc1ncoc1C(=O)N1C[C@@H](O)[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is CXJPXJDVFPDOEZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-6-9(18-5-11-6)10(15)13-3-7(8(14)4-13)12-19(2,16)17/h5,7-8,12,14H,3-4H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 289.31 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 110133085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).