7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one

C15H12N2O2S — CID 19992380

IUPAC7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
SMILESCC1(C)C(=O)Nc2cc3oc(-c4ccsc4)nc3cc21
InChIInChI=1S/C15H12N2O2S/c1-15(2)9-5-11-12(6-10(9)17-14(15)18)19-13(16-11)8-3-4-20-7-8/h3-7H,1-2H3,(H,17,18)
InChIKeyIZGJSXYXASXIHK-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.79
Rot. Bonds1

About 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one

7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one (PubChem CID 19992380) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
PubChem CID19992380
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
SMILESCC1(C)C(=O)Nc2cc3oc(-c4ccsc4)nc3cc21
InChIInChI=1S/C15H12N2O2S/c1-15(2)9-5-11-12(6-10(9)17-14(15)18)19-13(16-11)8-3-4-20-7-8/h3-7H,1-2H3,(H,17,18)
InChIKeyIZGJSXYXASXIHK-UHFFFAOYSA-N
XLogP3.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The IUPAC name of 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one (CID 19992380) is 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one is CC1(C)C(=O)Nc2cc3oc(-c4ccsc4)nc3cc21.
What is the InChIKey of 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The InChIKey is IZGJSXYXASXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-15(2)9-5-11-12(6-10(9)17-14(15)18)19-13(16-11)8-3-4-20-7-8/h3-7H,1-2H3,(H,17,18).
What are the key properties of 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one has a molecular weight of 284.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one is sourced from PubChem (CID 19992380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).