2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

C17H13N3O3S2 — CID 17399309

IUPAC2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1c(SCc2cc(-c3ccco3)on2)nc2sccc2c1=O
InChIInChI=1S/C17H13N3O3S2/c1-2-6-20-16(21)12-5-8-24-15(12)18-17(20)25-10-11-9-14(23-19-11)13-4-3-7-22-13/h2-5,7-9H,1,6,10H2
InChIKeyUOZBZOXIGBOJCQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.18
Rot. Bonds6

About 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (PubChem CID 17399309) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
PubChem CID17399309
Molecular FormulaC17H13N3O3S2
Molecular Weight371.44 g/mol
Exact Mass371.04
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1c(SCc2cc(-c3ccco3)on2)nc2sccc2c1=O
InChIInChI=1S/C17H13N3O3S2/c1-2-6-20-16(21)12-5-8-24-15(12)18-17(20)25-10-11-9-14(23-19-11)13-4-3-7-22-13/h2-5,7-9H,1,6,10H2
InChIKeyUOZBZOXIGBOJCQ-UHFFFAOYSA-N
XLogP4.18
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7201820
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 25484945
2-(2-phenylethylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 112784888
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 51140921
propan-2-yl 2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 102603041
3-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile
CID 17400646
2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 130188489
2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetaldehyde
CID 143287330
N-(2-methylphenyl)-2-[4-[(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112784891
4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 36750966
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 8570503
N,N-diethyl-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 78764090

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (CID 17399309) is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is C=CCn1c(SCc2cc(-c3ccco3)on2)nc2sccc2c1=O.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is UOZBZOXIGBOJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c1-2-6-20-16(21)12-5-8-24-15(12)18-17(20)25-10-11-9-14(23-19-11)13-4-3-7-22-13/h2-5,7-9H,1,6,10H2.
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 371.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 17399309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).