N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C15H23N3O4S — CID 72934443

IUPACN-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCCc1noc(C)c1C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C2CC2)C1
InChIInChI=1S/C15H23N3O4S/c1-4-12-14(9(2)22-16-12)15(19)18-7-11(10-5-6-10)13(8-18)17-23(3,20)21/h10-11,13,17H,4-8H2,1-3H3/t11-,13+/m1/s1
InChIKeyFVKACLSNVRIVEC-YPMHNXCESA-N
MW341.43 g/mol
LogP0.95
Rot. Bonds5

About N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 72934443) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID72934443
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCCc1noc(C)c1C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C2CC2)C1
InChIInChI=1S/C15H23N3O4S/c1-4-12-14(9(2)22-16-12)15(19)18-7-11(10-5-6-10)13(8-18)17-23(3,20)21/h10-11,13,17H,4-8H2,1-3H3/t11-,13+/m1/s1
InChIKeyFVKACLSNVRIVEC-YPMHNXCESA-N
XLogP0.95
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Ethyl-5-methylisoxazol-4-yl)(pyrrolidin-1-yl)methanone
CID 1245980
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 47830217
3-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 53515935
3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75462472
N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide
CID 97410173
N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]butane-1-sulfonamide
CID 72838871
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 72864035
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 91911021
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide
CID 91911098
3-ethyl-N-(1-ethylpiperidin-4-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 17249820
3-ethyl-5-methyl-N-[1-(propan-2-yl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 25236797

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 72934443) is N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide is CCc1noc(C)c1C(=O)N1C[C@H](NS(C)(=O)=O)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FVKACLSNVRIVEC-YPMHNXCESA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-12-14(9(2)22-16-12)15(19)18-7-11(10-5-6-10)13(8-18)17-23(3,20)21/h10-11,13,17H,4-8H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72934443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).