3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one

C17H16ClF2N3O3 — CID 155386756

IUPAC3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(Cc2cncc(-c3ccc(Cl)c(OC(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C17H16ClF2N3O3/c1-17(2)9-23(16(24)26-17)8-11-6-21-7-13(22-11)10-3-4-12(18)14(5-10)25-15(19)20/h3-7,15H,8-9H2,1-2H3
InChIKeyOKBWBAPYQVDQQP-UHFFFAOYSA-N
MW383.78 g/mol
LogP4.13
Rot. Bonds5

About 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one

3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 155386756) has the molecular formula C17H16ClF2N3O3 and a molecular weight of 383.78 g/mol. Its IUPAC name is 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID155386756
Molecular FormulaC17H16ClF2N3O3
Molecular Weight383.78 g/mol
Exact Mass383.08
IUPAC Name3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(Cc2cncc(-c3ccc(Cl)c(OC(F)F)c3)n2)C(=O)O1
InChIInChI=1S/C17H16ClF2N3O3/c1-17(2)9-23(16(24)26-17)8-11-6-21-7-13(22-11)10-3-4-12(18)14(5-10)25-15(19)20/h3-7,15H,8-9H2,1-2H3
InChIKeyOKBWBAPYQVDQQP-UHFFFAOYSA-N
XLogP4.13
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.78
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

6-[[6-[3-(Difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
CID 155386752
(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386753
(4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386755
6-[[6-[4-Chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.5]octan-5-one
CID 155386758
6-[[6-[4-Chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
CID 155386769
3-[[6-[4-Chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-1,3-oxazinan-2-one
CID 155386771
(4R)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386775
(5R)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 155386779
(5S)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 155386780
(5R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 155386781
(4R)-3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386784
3-[[6-[4-Chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one
CID 155386786

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 155386756) is 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)CN(Cc2cncc(-c3ccc(Cl)c(OC(F)F)c3)n2)C(=O)O1.
What is the InChIKey of 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is OKBWBAPYQVDQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O3/c1-17(2)9-23(16(24)26-17)8-11-6-21-7-13(22-11)10-3-4-12(18)14(5-10)25-15(19)20/h3-7,15H,8-9H2,1-2H3.
What are the key properties of 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 383.78 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).