methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate

C14H10ClN3O4 — CID 175566633

IUPACmethyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate
SMILESCOC(=O)c1oc(-c2cnc(Cl)o2)c(-c2ccncn2)c1C
InChIInChI=1S/C14H10ClN3O4/c1-7-10(8-3-4-16-6-18-8)12(9-5-17-14(15)21-9)22-11(7)13(19)20-2/h3-6H,1-2H3
InChIKeyMCAOEMNPSBYTLP-UHFFFAOYSA-N
MW319.70 g/mol
LogP3.14
Rot. Bonds3

About methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate

methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate (PubChem CID 175566633) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate
PubChem CID175566633
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC Namemethyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate
SMILESCOC(=O)c1oc(-c2cnc(Cl)o2)c(-c2ccncn2)c1C
InChIInChI=1S/C14H10ClN3O4/c1-7-10(8-3-4-16-6-18-8)12(9-5-17-14(15)21-9)22-11(7)13(19)20-2/h3-6H,1-2H3
InChIKeyMCAOEMNPSBYTLP-UHFFFAOYSA-N
XLogP3.14
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate?
The IUPAC name of methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate (CID 175566633) is methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate?
The canonical SMILES for methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate is COC(=O)c1oc(-c2cnc(Cl)o2)c(-c2ccncn2)c1C.
What is the InChIKey of methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate?
The InChIKey is MCAOEMNPSBYTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c1-7-10(8-3-4-16-6-18-8)12(9-5-17-14(15)21-9)22-11(7)13(19)20-2/h3-6H,1-2H3.
What are the key properties of methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate?
methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate has a molecular weight of 319.70 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chloro-1,3-oxazol-5-yl)-3-methyl-4-pyrimidin-4-ylfuran-2-carboxylate is sourced from PubChem (CID 175566633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).