1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide

C9H15N3O3S — CID 79685414

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N[C@@H]2CCNC2)no1
InChIInChI=1S/C9H15N3O3S/c1-7-4-9(11-15-7)6-16(13,14)12-8-2-3-10-5-8/h4,8,10,12H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyYWFPRMQNCJHPLN-MRVPVSSYSA-N
MW245.30 g/mol
LogP-0.24
Rot. Bonds4

About 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide

1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide (PubChem CID 79685414) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
PubChem CID79685414
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N[C@@H]2CCNC2)no1
InChIInChI=1S/C9H15N3O3S/c1-7-4-9(11-15-7)6-16(13,14)12-8-2-3-10-5-8/h4,8,10,12H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyYWFPRMQNCJHPLN-MRVPVSSYSA-N
XLogP-0.24
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide (CID 79685414) is 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide is Cc1cc(CS(=O)(=O)N[C@@H]2CCNC2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is YWFPRMQNCJHPLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-4-9(11-15-7)6-16(13,14)12-8-2-3-10-5-8/h4,8,10,12H,2-3,5-6H2,1H3/t8-/m1/s1.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 79685414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).