2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide

C10H11N3O4S — CID 114231794

IUPAC2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)Cc1nc2cc(N)ccc2o1
InChIInChI=1S/C10H11N3O4S/c11-6-1-2-8-7(3-6)13-10(17-8)5-18(15,16)4-9(12)14/h1-3H,4-5,11H2,(H2,12,14)
InChIKeyBCUDIIOODRZHKD-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.19
Rot. Bonds4

About 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide

2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide (PubChem CID 114231794) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide
PubChem CID114231794
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)Cc1nc2cc(N)ccc2o1
InChIInChI=1S/C10H11N3O4S/c11-6-1-2-8-7(3-6)13-10(17-8)5-18(15,16)4-9(12)14/h1-3H,4-5,11H2,(H2,12,14)
InChIKeyBCUDIIOODRZHKD-UHFFFAOYSA-N
XLogP-0.19
TPSA129.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetate
CID 79972161
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
2-[(5-amino-1,3-benzoxazol-2-yl)methyl-cyclopentylamino]acetamide
CID 79959943
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide
CID 61369143
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79959773
2-[(5-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-diethylacetamide
CID 61368399
3-[(5-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-methylpropanamide
CID 106914591
2-(benzenesulfonylmethyl)-1,3-benzoxazol-6-amine
CID 79999527
2-(propylsulfinylmethyl)-1,3-benzoxazol-5-amine
CID 79972352
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
3-[(5-amino-1,3-benzoxazol-2-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 79964488
2-(3-ethylsulfonylpropylsulfonyl)-1,3-benzoxazol-5-amine
CID 65095830

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide (CID 114231794) is 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide is NC(=O)CS(=O)(=O)Cc1nc2cc(N)ccc2o1.
What is the InChIKey of 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide?
The InChIKey is BCUDIIOODRZHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c11-6-1-2-8-7(3-6)13-10(17-8)5-18(15,16)4-9(12)14/h1-3H,4-5,11H2,(H2,12,14).
What are the key properties of 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide?
2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide has a molecular weight of 269.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 114231794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).