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

C16H14ClF2N3O3 — CID 155386755

IUPAC(4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1Cc1cncc(-c2ccc(Cl)c(OC(F)F)c2)n1
InChIInChI=1S/C16H14ClF2N3O3/c1-9-8-24-16(23)22(9)7-11-5-20-6-13(21-11)10-2-3-12(17)14(4-10)25-15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m0/s1
InChIKeyNXELEXWMOSZDLC-VIFPVBQESA-N
MW369.76 g/mol
LogP3.74
Rot. Bonds5

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

(4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 155386755) has the molecular formula C16H14ClF2N3O3 and a molecular weight of 369.76 g/mol. Its IUPAC name is (4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID155386755
Molecular FormulaC16H14ClF2N3O3
Molecular Weight369.76 g/mol
Exact Mass369.07
IUPAC Name(4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1Cc1cncc(-c2ccc(Cl)c(OC(F)F)c2)n1
InChIInChI=1S/C16H14ClF2N3O3/c1-9-8-24-16(23)22(9)7-11-5-20-6-13(21-11)10-2-3-12(17)14(4-10)25-15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m0/s1
InChIKeyNXELEXWMOSZDLC-VIFPVBQESA-N
XLogP3.74
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
3-[[6-[4-Chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 155386756
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 (4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 155386755) is (4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is C[C@H]1COC(=O)N1Cc1cncc(-c2ccc(Cl)c(OC(F)F)c2)n1.
What is the InChIKey of (4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is NXELEXWMOSZDLC-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14ClF2N3O3/c1-9-8-24-16(23)22(9)7-11-5-20-6-13(21-11)10-2-3-12(17)14(4-10)25-15(18)19/h2-6,9,15H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 369.76 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155386755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).