[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

C21H16F2N2O3 — CID 45215075

IUPAC[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESO=C(C1Cc2ccccc2O1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C21H16F2N2O3/c22-15-6-5-13(9-16(15)23)20-14-11-25(8-7-18(14)28-24-20)21(26)19-10-12-3-1-2-4-17(12)27-19/h1-6,9,19H,7-8,10-11H2
InChIKeyRXGCPSHSQKYWRD-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.51
Rot. Bonds2

About [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (PubChem CID 45215075) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
PubChem CID45215075
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESO=C(C1Cc2ccccc2O1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C21H16F2N2O3/c22-15-6-5-13(9-16(15)23)20-14-11-25(8-7-18(14)28-24-20)21(26)19-10-12-3-1-2-4-17(12)27-19/h1-6,9,19H,7-8,10-11H2
InChIKeyRXGCPSHSQKYWRD-UHFFFAOYSA-N
XLogP3.51
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (CID 45215075) is [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is O=C(C1Cc2ccccc2O1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The InChIKey is RXGCPSHSQKYWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c22-15-6-5-13(9-16(15)23)20-14-11-25(8-7-18(14)28-24-20)21(26)19-10-12-3-1-2-4-17(12)27-19/h1-6,9,19H,7-8,10-11H2.
What are the key properties of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone has a molecular weight of 382.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 45215075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).