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

C17H14F2N4O2 — CID 170505785

IUPAC[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)n1
InChIInChI=1S/C17H14F2N4O2/c1-22-4-2-13(21-22)17(24)23-5-3-15-14(9-23)20-16(25-15)10-6-11(18)8-12(19)7-10/h2,4,6-8H,3,5,9H2,1H3
InChIKeyFMQMUXHSWITVPJ-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.55
Rot. Bonds2

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

[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 170505785) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID170505785
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)n1
InChIInChI=1S/C17H14F2N4O2/c1-22-4-2-13(21-22)17(24)23-5-3-15-14(9-23)20-16(25-15)10-6-11(18)8-12(19)7-10/h2,4,6-8H,3,5,9H2,1H3
InChIKeyFMQMUXHSWITVPJ-UHFFFAOYSA-N
XLogP2.55
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone (CID 170505785) is [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)n1.
What is the InChIKey of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is FMQMUXHSWITVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-22-4-2-13(21-22)17(24)23-5-3-15-14(9-23)20-16(25-15)10-6-11(18)8-12(19)7-10/h2,4,6-8H,3,5,9H2,1H3.
What are the key properties of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone?
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 344.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 170505785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).