7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine

C12H10N2OS — CID 178063594

IUPAC7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine
SMILESCc1cc(-c2ccsc2)cc2nc(N)oc12
InChIInChI=1S/C12H10N2OS/c1-7-4-9(8-2-3-16-6-8)5-10-11(7)15-12(13)14-10/h2-6H,1H3,(H2,13,14)
InChIKeyDGDZTDUOCOWXPH-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds1

About 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine

7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine (PubChem CID 178063594) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine
PubChem CID178063594
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine
SMILESCc1cc(-c2ccsc2)cc2nc(N)oc12
InChIInChI=1S/C12H10N2OS/c1-7-4-9(8-2-3-16-6-8)5-10-11(7)15-12(13)14-10/h2-6H,1H3,(H2,13,14)
InChIKeyDGDZTDUOCOWXPH-UHFFFAOYSA-N
XLogP3.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine?
The IUPAC name of 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine (CID 178063594) is 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine is Cc1cc(-c2ccsc2)cc2nc(N)oc12.
What is the InChIKey of 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine?
The InChIKey is DGDZTDUOCOWXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-4-9(8-2-3-16-6-8)5-10-11(7)15-12(13)14-10/h2-6H,1H3,(H2,13,14).
What are the key properties of 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine?
7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine has a molecular weight of 230.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-thiophen-3-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 178063594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).