4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

C16H19FN2O3S — CID 110411407

IUPAC4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3S/c1-11-16(12(2)22-18-11)23(20,21)19-9-3-4-15(19)10-13-5-7-14(17)8-6-13/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyVPINATHBMMVZEC-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.83
Rot. Bonds4

About 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 110411407) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID110411407
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3S/c1-11-16(12(2)22-18-11)23(20,21)19-9-3-4-15(19)10-13-5-7-14(17)8-6-13/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyVPINATHBMMVZEC-UHFFFAOYSA-N
XLogP2.83
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]acetic acid
CID 61370109
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969248
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]acetic acid
CID 61010548
(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 7130999
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20855589
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine
CID 63879299
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94159158
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(4-fluorophenyl)methyl]pyrrolidine
CID 110601884
5-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110411418
4-[(2R)-2-(3-fluorophenyl)azepan-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 95079293
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-2-carbaldehyde
CID 63846213
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 110411407) is 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCCC1Cc1ccc(F)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is VPINATHBMMVZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-11-16(12(2)22-18-11)23(20,21)19-9-3-4-15(19)10-13-5-7-14(17)8-6-13/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 338.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110411407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).