5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine

C11H10N4O3S — CID 81434358

IUPAC5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
SMILESCS(=O)(=O)c1ccc2oc(-c3cc(N)n[nH]3)nc2c1
InChIInChI=1S/C11H10N4O3S/c1-19(16,17)6-2-3-9-7(4-6)13-11(18-9)8-5-10(12)15-14-8/h2-5H,1H3,(H3,12,14,15)
InChIKeyPJMCBWOOPHYSSM-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.20
Rot. Bonds2

About 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine

5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine (PubChem CID 81434358) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
PubChem CID81434358
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
SMILESCS(=O)(=O)c1ccc2oc(-c3cc(N)n[nH]3)nc2c1
InChIInChI=1S/C11H10N4O3S/c1-19(16,17)6-2-3-9-7(4-6)13-11(18-9)8-5-10(12)15-14-8/h2-5H,1H3,(H3,12,14,15)
InChIKeyPJMCBWOOPHYSSM-UHFFFAOYSA-N
XLogP1.20
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-(5-methylsulfonyl-1,3-benzoxazol-2-yl)aniline
CID 81421707
[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81422815
5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
CID 64528494
[6-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81421458
1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 81433807
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973
2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol
CID 81433445
N-[(5-methylsulfonyl-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 81434082
2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297014
3-(5-methylsulfonyl-1,3-benzoxazol-2-yl)oxolan-3-amine
CID 81433092
2-(4-methylpyrrolidin-3-yl)-5-methylsulfonyl-1,3-benzoxazole
CID 81433357
5-methylsulfonyl-2-(3-prop-2-enylsulfonyl-2-pyridinyl)-1,3-benzoxazole
CID 163580805

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine (CID 81434358) is 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine is CS(=O)(=O)c1ccc2oc(-c3cc(N)n[nH]3)nc2c1.
What is the InChIKey of 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine?
The InChIKey is PJMCBWOOPHYSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-19(16,17)6-2-3-9-7(4-6)13-11(18-9)8-5-10(12)15-14-8/h2-5H,1H3,(H3,12,14,15).
What are the key properties of 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine?
5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine has a molecular weight of 278.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81434358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).