6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one

C12H10N2O3S — CID 115425967

IUPAC6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one
SMILESNc1cc2oc(=O)[nH]c2cc1OCc1cccs1
InChIInChI=1S/C12H10N2O3S/c13-8-4-11-9(14-12(15)17-11)5-10(8)16-6-7-2-1-3-18-7/h1-5H,6,13H2,(H,14,15)
InChIKeyLMPYJDGNUSORII-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.34
Rot. Bonds3

About 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one

6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one (PubChem CID 115425967) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one
PubChem CID115425967
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one
SMILESNc1cc2oc(=O)[nH]c2cc1OCc1cccs1
InChIInChI=1S/C12H10N2O3S/c13-8-4-11-9(14-12(15)17-11)5-10(8)16-6-7-2-1-3-18-7/h1-5H,6,13H2,(H,14,15)
InChIKeyLMPYJDGNUSORII-UHFFFAOYSA-N
XLogP2.34
TPSA81.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-(3-methoxypropoxy)-3H-1,3-benzoxazol-2-one
CID 113307464
6-amino-5-(2-methylphenoxy)-3H-1,3-benzoxazol-2-one
CID 115425878
5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 66110973
6-amino-5-[3-(hydroxymethyl)phenoxy]-3H-1,3-benzoxazol-2-one
CID 115425969
6-amino-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425366
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667
6-amino-5-(3,4-dichlorophenoxy)-3H-1,3-benzoxazol-2-one
CID 115425956
6-amino-5-(2,4-difluorophenoxy)-3H-1,3-benzoxazol-2-one
CID 115425857
2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine
CID 54966656
6-amino-5-(2-bromo-4-fluorophenoxy)-3H-1,3-benzoxazol-2-one
CID 115425859
6-(3-thiophen-2-ylpropanoyl)-3H-1,3-benzoxazol-2-one
CID 3042965
6-amino-5-(4-chloro-3-fluorophenoxy)-3H-1,3-benzoxazol-2-one
CID 82717100

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one (CID 115425967) is 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one is Nc1cc2oc(=O)[nH]c2cc1OCc1cccs1.
What is the InChIKey of 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one?
The InChIKey is LMPYJDGNUSORII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c13-8-4-11-9(14-12(15)17-11)5-10(8)16-6-7-2-1-3-18-7/h1-5H,6,13H2,(H,14,15).
What are the key properties of 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one?
6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one has a molecular weight of 262.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(thiophen-2-ylmethoxy)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).