(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate

C19H14N2O5S — CID 42895738

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1occc1COc1ccccc1
InChIInChI=1S/C19H14N2O5S/c22-16-10-14(20-19-21(16)7-9-27-19)12-26-18(23)17-13(6-8-24-17)11-25-15-4-2-1-3-5-15/h1-10H,11-12H2
InChIKeyMDNOFDHXTKIRAT-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.29
Rot. Bonds6

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate (PubChem CID 42895738) has the molecular formula C19H14N2O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate
PubChem CID42895738
Molecular FormulaC19H14N2O5S
Molecular Weight382.40 g/mol
Exact Mass382.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1occc1COc1ccccc1
InChIInChI=1S/C19H14N2O5S/c22-16-10-14(20-19-21(16)7-9-27-19)12-26-18(23)17-13(6-8-24-17)11-25-15-4-2-1-3-5-15/h1-10H,11-12H2
InChIKeyMDNOFDHXTKIRAT-UHFFFAOYSA-N
XLogP3.29
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate (CID 42895738) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate is O=C(OCc1cc(=O)n2ccsc2n1)c1occc1COc1ccccc1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is MDNOFDHXTKIRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S/c22-16-10-14(20-19-21(16)7-9-27-19)12-26-18(23)17-13(6-8-24-17)11-25-15-4-2-1-3-5-15/h1-10H,11-12H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 382.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 42895738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).