4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine

C12H12N2OS — CID 117336621

IUPAC4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine
SMILESCC1Cc2ccc(-c3cnoc3N)cc2S1
InChIInChI=1S/C12H12N2OS/c1-7-4-9-3-2-8(5-11(9)16-7)10-6-14-15-12(10)13/h2-3,5-7H,4,13H2,1H3
InChIKeyZJBPQDHPBGYOFS-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.96
Rot. Bonds1

About 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine

4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine (PubChem CID 117336621) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine
PubChem CID117336621
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine
SMILESCC1Cc2ccc(-c3cnoc3N)cc2S1
InChIInChI=1S/C12H12N2OS/c1-7-4-9-3-2-8(5-11(9)16-7)10-6-14-15-12(10)13/h2-3,5-7H,4,13H2,1H3
InChIKeyZJBPQDHPBGYOFS-UHFFFAOYSA-N
XLogP2.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117308055
4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine
CID 117314072
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
CID 117291729
4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine
CID 117396976
5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)-1H-pyrazol-3-amine
CID 117334795
4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117414139
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117367114
4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491641
4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
CID 117396578
4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine
CID 117355368

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine (CID 117336621) is 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine is CC1Cc2ccc(-c3cnoc3N)cc2S1.
What is the InChIKey of 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine?
The InChIKey is ZJBPQDHPBGYOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-4-9-3-2-8(5-11(9)16-7)10-6-14-15-12(10)13/h2-3,5-7H,4,13H2,1H3.
What are the key properties of 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine?
4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine has a molecular weight of 232.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117336621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).