3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine

C15H19N3O3S — CID 110740590

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(c2ccccc2)OC1C
InChIInChI=1S/C15H19N3O3S/c1-10-15(11(2)17-16-10)22(19,20)18-9-14(21-12(18)3)13-7-5-4-6-8-13/h4-8,12,14H,9H2,1-3H3,(H,16,17)
InChIKeyRKQLCKMVIGMHGC-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.13
Rot. Bonds3

About 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine

3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine (PubChem CID 110740590) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine
PubChem CID110740590
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(c2ccccc2)OC1C
InChIInChI=1S/C15H19N3O3S/c1-10-15(11(2)17-16-10)22(19,20)18-9-14(21-12(18)3)13-7-5-4-6-8-13/h4-8,12,14H,9H2,1-3H3,(H,16,17)
InChIKeyRKQLCKMVIGMHGC-UHFFFAOYSA-N
XLogP2.13
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine
CID 110740568
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine
CID 110740386
N,N,2-trimethyl-5-phenyl-1,3-oxazolidine-3-sulfonamide
CID 110740572
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine
CID 110369285
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 16767831
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
CID 43544982
3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine
CID 110740592
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 155495376
4-(3-benzylpyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 110874342
(2S)-N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 110286192
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenoxypiperidine
CID 90025029

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine (CID 110740590) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CC(c2ccccc2)OC1C.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine?
The InChIKey is RKQLCKMVIGMHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-15(11(2)17-16-10)22(19,20)18-9-14(21-12(18)3)13-7-5-4-6-8-13/h4-8,12,14H,9H2,1-3H3,(H,16,17).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine has a molecular weight of 321.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 110740590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).