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

C18H14F2N4O2 — CID 26391877

IUPAC[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-10-7-22-15(8-21-10)18(25)24-5-4-16-12(9-24)17(23-26-16)11-2-3-13(19)14(20)6-11/h2-3,6-8H,4-5,9H2,1H3
InChIKeySZCLTEANQLTMAH-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.92
Rot. Bonds2

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

[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 26391877) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID26391877
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1
InChIInChI=1S/C18H14F2N4O2/c1-10-7-22-15(8-21-10)18(25)24-5-4-16-12(9-24)17(23-26-16)11-2-3-13(19)14(20)6-11/h2-3,6-8H,4-5,9H2,1H3
InChIKeySZCLTEANQLTMAH-UHFFFAOYSA-N
XLogP2.92
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone (CID 26391877) is [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-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]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1.
What is the InChIKey of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is SZCLTEANQLTMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-10-7-22-15(8-21-10)18(25)24-5-4-16-12(9-24)17(23-26-16)11-2-3-13(19)14(20)6-11/h2-3,6-8H,4-5,9H2,1H3.
What are the key properties of [3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone?
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 356.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 26391877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).