7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one

C14H11N3O2S — CID 19992379

IUPAC7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
SMILESCC1(C)C(=O)Nc2cc3oc(-c4cscn4)nc3cc21
InChIInChI=1S/C14H11N3O2S/c1-14(2)7-3-9-11(4-8(7)17-13(14)18)19-12(16-9)10-5-20-6-15-10/h3-6H,1-2H3,(H,17,18)
InChIKeyFYCVVKZSUXNAGN-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.18
Rot. Bonds1

About 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one

7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one (PubChem CID 19992379) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
PubChem CID19992379
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
SMILESCC1(C)C(=O)Nc2cc3oc(-c4cscn4)nc3cc21
InChIInChI=1S/C14H11N3O2S/c1-14(2)7-3-9-11(4-8(7)17-13(14)18)19-12(16-9)10-5-20-6-15-10/h3-6H,1-2H3,(H,17,18)
InChIKeyFYCVVKZSUXNAGN-UHFFFAOYSA-N
XLogP3.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one with MolForge

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Related Compounds

N-[2-[3-(trifluoromethoxy)phenyl]-1,3-benzoxazol-4-yl]-1,3-thiazole-4-carboxamide
CID 67217956
N-[2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-yl]-1,3-thiazole-4-carboxamide
CID 69087316
2-(4-Pyridinyl)-7,7-dimethyl-5,7-dihydropyrrolo[3,2-f]benzoxazol-6-one
CID 14578865
7,7-dimethyl-2-(2-pyridin-4-ylethyl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992351
2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992353
2-(4-butyl-2-pyridinyl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992360
7,7-dimethyl-2-(2-methyl-1,3-thiazol-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992362
7,7-dimethyl-2-thiophen-2-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992369
2-(4-Pyridinylmethyl)-7,7-dimethyl-5,7-dihydropyrrolo[3,2-f]benzoxazol-6-one
CID 19992378
7,7-dimethyl-2-thiophen-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992380
7,7-dimethyl-2-(thiadiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992387
7,7-dimethyl-2-(1-methyltriazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992392

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The IUPAC name of 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one (CID 19992379) is 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one is CC1(C)C(=O)Nc2cc3oc(-c4cscn4)nc3cc21.
What is the InChIKey of 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The InChIKey is FYCVVKZSUXNAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-14(2)7-3-9-11(4-8(7)17-13(14)18)19-12(16-9)10-5-20-6-15-10/h3-6H,1-2H3,(H,17,18).
What are the key properties of 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one has a molecular weight of 285.33 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one is sourced from PubChem (CID 19992379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).