2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine

C10H10N6O3S — CID 107052239

IUPAC2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine
SMILESCn1nnc(CS(=O)(=O)c2nc3cc(N)ccc3o2)n1
InChIInChI=1S/C10H10N6O3S/c1-16-14-9(13-15-16)5-20(17,18)10-12-7-4-6(11)2-3-8(7)19-10/h2-4H,5,11H2,1H3
InChIKeyKUMFEJRZVHZSDL-UHFFFAOYSA-N
MW294.30 g/mol
LogP-0.09
Rot. Bonds3

About 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine

2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine (PubChem CID 107052239) has the molecular formula C10H10N6O3S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine
PubChem CID107052239
Molecular FormulaC10H10N6O3S
Molecular Weight294.30 g/mol
Exact Mass294.05
IUPAC Name2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine
SMILESCn1nnc(CS(=O)(=O)c2nc3cc(N)ccc3o2)n1
InChIInChI=1S/C10H10N6O3S/c1-16-14-9(13-15-16)5-20(17,18)10-12-7-4-6(11)2-3-8(7)19-10/h2-4H,5,11H2,1H3
InChIKeyKUMFEJRZVHZSDL-UHFFFAOYSA-N
XLogP-0.09
TPSA129.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylpyrazol-3-yl)methylsulfonyl]-1,3-benzoxazol-5-amine
CID 82876411
2-(2-methylsulfonylethylsulfonyl)-1,3-benzoxazol-5-amine
CID 61369152
2-(3-ethylsulfonylpropylsulfonyl)-1,3-benzoxazol-5-amine
CID 65095830
2-[(5-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-diethylacetamide
CID 61368399
2-(3-imidazol-1-ylpropylsulfonyl)-1,3-benzoxazol-5-amine
CID 61493025
2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine
CID 107052242
6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one
CID 107042825
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide
CID 61369143
2-[(5-methyl-3-pyridinyl)methylsulfonyl]-1,3-benzoxazol-6-amine
CID 102878453
2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide
CID 114231794
2-(pyridin-3-ylmethylsulfonyl)-1,3-benzoxazol-6-amine
CID 61367044
2-(2-propylsulfonylethylsulfonyl)-1,3-benzoxazol-6-amine
CID 106728932

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine (CID 107052239) is 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine is Cn1nnc(CS(=O)(=O)c2nc3cc(N)ccc3o2)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine?
The InChIKey is KUMFEJRZVHZSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3S/c1-16-14-9(13-15-16)5-20(17,18)10-12-7-4-6(11)2-3-8(7)19-10/h2-4H,5,11H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine?
2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine has a molecular weight of 294.30 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methylsulfonyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 107052239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).