2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

C12H15N3O3S — CID 61485475

IUPAC2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nc2ccc(N)cc2o1
InChIInChI=1S/C12H15N3O3S/c1-17-5-4-14-11(16)7-19-12-15-9-3-2-8(13)6-10(9)18-12/h2-3,6H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyVVAGMOXRSDCPDC-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.26
Rot. Bonds6

About 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 61485475) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID61485475
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nc2ccc(N)cc2o1
InChIInChI=1S/C12H15N3O3S/c1-17-5-4-14-11(16)7-19-12-15-9-3-2-8(13)6-10(9)18-12/h2-3,6H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyVVAGMOXRSDCPDC-UHFFFAOYSA-N
XLogP1.26
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 61359047
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836051
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 30016511
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 61359438
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7963590
1-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]propan-2-ol
CID 65279309
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-propylacetamide
CID 17422877
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-1,3-benzoxazol-5-amine
CID 104565784
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxypropyl)acetamide
CID 5128603
methyl 2-[(6-amino-1,3-benzoxazol-2-yl)methylsulfanyl]acetate
CID 79999281
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide
CID 51156174

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (CID 61485475) is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1nc2ccc(N)cc2o1.
What is the InChIKey of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is VVAGMOXRSDCPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-17-5-4-14-11(16)7-19-12-15-9-3-2-8(13)6-10(9)18-12/h2-3,6H,4-5,7,13H2,1H3,(H,14,16).
What are the key properties of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 281.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61485475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).