4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole

C19H21N5O3S — CID 121021163

IUPAC4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCC(n4cc(C5CC5)nn4)C3)cc2)co1
InChIInChI=1S/C19H21N5O3S/c1-13-20-19(12-27-13)15-4-6-17(7-5-15)28(25,26)23-9-8-16(10-23)24-11-18(21-22-24)14-2-3-14/h4-7,11-12,14,16H,2-3,8-10H2,1H3
InChIKeyQGKWVILFVQHRQB-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.75
Rot. Bonds5

About 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole

4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole (PubChem CID 121021163) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
PubChem CID121021163
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCC(n4cc(C5CC5)nn4)C3)cc2)co1
InChIInChI=1S/C19H21N5O3S/c1-13-20-19(12-27-13)15-4-6-17(7-5-15)28(25,26)23-9-8-16(10-23)24-11-18(21-22-24)14-2-3-14/h4-7,11-12,14,16H,2-3,8-10H2,1H3
InChIKeyQGKWVILFVQHRQB-UHFFFAOYSA-N
XLogP2.75
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopropyl-1-[1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121190809
4-cyclopropyl-1-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190782
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
CID 121190734
4-cyclopropyl-1-[1-[(4-methylphenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121190836
2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
CID 56791969
1-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021159
4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892518
1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole
CID 121190319
3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121190795
1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974771
1-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021160
4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124725171

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole (CID 121021163) is 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(S(=O)(=O)N3CCC(n4cc(C5CC5)nn4)C3)cc2)co1.
What is the InChIKey of 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole?
The InChIKey is QGKWVILFVQHRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-13-20-19(12-27-13)15-4-6-17(7-5-15)28(25,26)23-9-8-16(10-23)24-11-18(21-22-24)14-2-3-14/h4-7,11-12,14,16H,2-3,8-10H2,1H3.
What are the key properties of 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole?
4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole has a molecular weight of 399.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 121021163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).