5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

C19H17F2N3O4 — CID 142412714

IUPAC5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21)N1CCCC1
InChIInChI=1S/C19H17F2N3O4/c20-18(21)27-13-5-3-12(4-6-13)14-7-8-15-17(22-14)24(19(26)28-15)11-16(25)23-9-1-2-10-23/h3-8,18H,1-2,9-11H2
InChIKeyJWFAGUZQJXCIAO-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.88
Rot. Bonds5

About 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 142412714) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID142412714
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21)N1CCCC1
InChIInChI=1S/C19H17F2N3O4/c20-18(21)27-13-5-3-12(4-6-13)14-7-8-15-17(22-14)24(19(26)28-15)11-16(25)23-9-1-2-10-23/h3-8,18H,1-2,9-11H2
InChIKeyJWFAGUZQJXCIAO-UHFFFAOYSA-N
XLogP2.88
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 142412714) is 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is O=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21)N1CCCC1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is JWFAGUZQJXCIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c20-18(21)27-13-5-3-12(4-6-13)14-7-8-15-17(22-14)24(19(26)28-15)11-16(25)23-9-1-2-10-23/h3-8,18H,1-2,9-11H2.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 389.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 142412714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).