3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one

C16H14F3N3O2 — CID 155386768

IUPAC3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1Cc1cncc(-c2ccc(F)c(C(F)F)c2)n1
InChIInChI=1S/C16H14F3N3O2/c17-13-3-2-10(6-12(13)15(18)19)14-8-20-7-11(21-14)9-22-4-1-5-24-16(22)23/h2-3,6-8,15H,1,4-5,9H2
InChIKeyIEJOMSKSRUEBQK-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.56
Rot. Bonds4

About 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one

3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one (PubChem CID 155386768) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one
PubChem CID155386768
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1Cc1cncc(-c2ccc(F)c(C(F)F)c2)n1
InChIInChI=1S/C16H14F3N3O2/c17-13-3-2-10(6-12(13)15(18)19)14-8-20-7-11(21-14)9-22-4-1-5-24-16(22)23/h2-3,6-8,15H,1,4-5,9H2
InChIKeyIEJOMSKSRUEBQK-UHFFFAOYSA-N
XLogP3.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one with MolForge

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Related Compounds

Deschloro Loratadine
CID 12884174
1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
CID 71656525
propan-2-yl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 70689560
propan-2-yl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 70695883
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(dipyridin-3-ylmethyl)piperazine-1-carboxylate
CID 71656799
Tert-butyl 4-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 56682377
propan-2-yl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 70683266
tert-butyl 4-[N-pyridin-3-yl-4-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 76336702
(R)-3-((6-(3,4-difluorophenyl)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591796
(R)-3-((5-(3,4-difluorophenyl)pyridin-2-yl)methyl)-5-methyloxazolidin-2-one
CID 44591797
Tert-butyl 4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidine-1-carboxylate
CID 56658512
Tert-butyl 4-[[[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]amino]methyl]piperidine-1-carboxylate
CID 56658654

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one (CID 155386768) is 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one is O=C1OCCCN1Cc1cncc(-c2ccc(F)c(C(F)F)c2)n1.
What is the InChIKey of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The InChIKey is IEJOMSKSRUEBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-13-3-2-10(6-12(13)15(18)19)14-8-20-7-11(21-14)9-22-4-1-5-24-16(22)23/h2-3,6-8,15H,1,4-5,9H2.
What are the key properties of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one has a molecular weight of 337.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 155386768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).