5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

C14H10ClFN2O3 — CID 22270781

IUPAC5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESCc1cn(Cc2cc(Cl)ccc2F)c(=O)c2[nH]c(=O)oc12
InChIInChI=1S/C14H10ClFN2O3/c1-7-5-18(6-8-4-9(15)2-3-10(8)16)13(19)11-12(7)21-14(20)17-11/h2-5H,6H2,1H3,(H,17,20)
InChIKeyFZQYQFJPBKFVJV-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.43
Rot. Bonds2

About 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (PubChem CID 22270781) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
PubChem CID22270781
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESCc1cn(Cc2cc(Cl)ccc2F)c(=O)c2[nH]c(=O)oc12
InChIInChI=1S/C14H10ClFN2O3/c1-7-5-18(6-8-4-9(15)2-3-10(8)16)13(19)11-12(7)21-14(20)17-11/h2-5H,6H2,1H3,(H,17,20)
InChIKeyFZQYQFJPBKFVJV-UHFFFAOYSA-N
XLogP2.43
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (CID 22270781) is 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is Cc1cn(Cc2cc(Cl)ccc2F)c(=O)c2[nH]c(=O)oc12.
What is the InChIKey of 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The InChIKey is FZQYQFJPBKFVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c1-7-5-18(6-8-4-9(15)2-3-10(8)16)13(19)11-12(7)21-14(20)17-11/h2-5H,6H2,1H3,(H,17,20).
What are the key properties of 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione has a molecular weight of 308.70 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 22270781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).