2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine

C16H14N2OS — CID 79883506

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(Sc3ccc4c(c3)CCC4)oc2c1
InChIInChI=1S/C16H14N2OS/c17-12-5-7-14-15(9-12)19-16(18-14)20-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2
InChIKeyNMAXWZRHANQCTB-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.05
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine (PubChem CID 79883506) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine
PubChem CID79883506
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(Sc3ccc4c(c3)CCC4)oc2c1
InChIInChI=1S/C16H14N2OS/c17-12-5-7-14-15(9-12)19-16(18-14)20-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2
InChIKeyNMAXWZRHANQCTB-UHFFFAOYSA-N
XLogP4.05
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-2-chlorobenzonitrile
CID 62945410
2-(3-methylbutan-2-ylsulfanyl)-1,3-benzoxazol-6-amine
CID 107747829
2-(2-bromophenyl)sulfanyl-1,3-benzoxazol-6-amine
CID 79883045
2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-benzoxazol-6-amine
CID 55251491
2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-benzoxazol-6-amine
CID 61371805
2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-6-amine
CID 55113054
2-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-5-methylbenzonitrile
CID 107931884
2-[(5-tert-butyl-2-pyridinyl)sulfanyl]-1,3-benzoxazol-6-amine
CID 107875348
5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide
CID 61305967
2-prop-2-enylsulfanyl-1,3-benzoxazol-6-amine
CID 130507814
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine
CID 79883182
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine
CID 80893063

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine (CID 79883506) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine is Nc1ccc2nc(Sc3ccc4c(c3)CCC4)oc2c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine?
The InChIKey is NMAXWZRHANQCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c17-12-5-7-14-15(9-12)19-16(18-14)20-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine has a molecular weight of 282.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79883506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).