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

C17H23N3O3S — CID 154882868

IUPACN-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide
SMILESCc1cc(CN2CCC(N(C)S(=O)(=O)Cc3ccccc3)C2)no1
InChIInChI=1S/C17H23N3O3S/c1-14-10-16(18-23-14)11-20-9-8-17(12-20)19(2)24(21,22)13-15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-13H2,1-2H3
InChIKeyKWJOGVVAWVWAEX-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.02
Rot. Bonds6

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

N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide (PubChem CID 154882868) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide
PubChem CID154882868
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide
SMILESCc1cc(CN2CCC(N(C)S(=O)(=O)Cc3ccccc3)C2)no1
InChIInChI=1S/C17H23N3O3S/c1-14-10-16(18-23-14)11-20-9-8-17(12-20)19(2)24(21,22)13-15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-13H2,1-2H3
InChIKeyKWJOGVVAWVWAEX-UHFFFAOYSA-N
XLogP2.02
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide with MolForge

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Related Compounds

3-[[(3R,4S)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 124797918
3-[[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 97475241
(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 97004839
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
1,1,3-trimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]urea
CID 166603414
5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 110646440
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
3-[[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155830154
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 172891629
N-methyl-N-[1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]azepan-4-yl]-1-phenylmethanesulfonamide
CID 110151701

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide (CID 154882868) is N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide is Cc1cc(CN2CCC(N(C)S(=O)(=O)Cc3ccccc3)C2)no1.
What is the InChIKey of N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is KWJOGVVAWVWAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-14-10-16(18-23-14)11-20-9-8-17(12-20)19(2)24(21,22)13-15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 154882868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).