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

C18H18F2N2O3 — CID 169417311

IUPAC[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone
SMILESCC1(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)CCCO1
InChIInChI=1S/C18H18F2N2O3/c1-18(4-2-6-24-18)17(23)22-5-3-15-14(10-22)21-16(25-15)11-7-12(19)9-13(20)8-11/h7-9H,2-6,10H2,1H3
InChIKeyPTRPBFNVCUDMLS-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.07
Rot. Bonds2

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

[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone (PubChem CID 169417311) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone
PubChem CID169417311
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone
SMILESCC1(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)CCCO1
InChIInChI=1S/C18H18F2N2O3/c1-18(4-2-6-24-18)17(23)22-5-3-15-14(10-22)21-16(25-15)11-7-12(19)9-13(20)8-11/h7-9H,2-6,10H2,1H3
InChIKeyPTRPBFNVCUDMLS-UHFFFAOYSA-N
XLogP3.07
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-(2-methyloxolan-2-yl)methanone?
The IUPAC name of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone (CID 169417311) is [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-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]-(2-methyloxolan-2-yl)methanone?
The canonical SMILES for [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone is CC1(C(=O)N2CCc3oc(-c4cc(F)cc(F)c4)nc3C2)CCCO1.
What is the InChIKey of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone?
The InChIKey is PTRPBFNVCUDMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-18(4-2-6-24-18)17(23)22-5-3-15-14(10-22)21-16(25-15)11-7-12(19)9-13(20)8-11/h7-9H,2-6,10H2,1H3.
What are the key properties of [2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone?
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyloxolan-2-yl)methanone has a molecular weight of 348.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(2-methyloxolan-2-yl)methanone is sourced from PubChem (CID 169417311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).