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

C14H17N3O3S — CID 110740386

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOC1c1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-10-13(11(2)16-15-10)21(18,19)17-8-9-20-14(17)12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyXOBWQFZKMWUWAI-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.75
Rot. Bonds3

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

3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine (PubChem CID 110740386) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine
PubChem CID110740386
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOC1c1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-10-13(11(2)16-15-10)21(18,19)17-8-9-20-14(17)12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyXOBWQFZKMWUWAI-UHFFFAOYSA-N
XLogP1.75
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine
CID 110740590
(2S)-N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 110286192
3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
CID 46707965
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
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methoxyphenyl)piperazine
CID 120763175
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(2-methylphenyl)piperazin-2-one
CID 110657306
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
CID 43544982
4-(3-benzylpyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 110874342
4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrazole
CID 92628820
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride
CID 120725679

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine (CID 110740386) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCOC1c1ccccc1.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine?
The InChIKey is XOBWQFZKMWUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10-13(11(2)16-15-10)21(18,19)17-8-9-20-14(17)12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-1,3-oxazolidine has a molecular weight of 307.38 g/mol, XLogP of 1.75, 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-phenyl-1,3-oxazolidine is sourced from PubChem (CID 110740386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).