3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one

C16H19N5O2 — CID 133475744

IUPAC3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)c1nccnc1NCc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C16H19N5O2/c1-20(2)15-14(17-7-8-18-15)19-11-12-3-5-13(6-4-12)21-9-10-23-16(21)22/h3-8H,9-11H2,1-2H3,(H,17,19)
InChIKeyCEZRPFBKZARKEE-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.11
Rot. Bonds5

About 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 133475744) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID133475744
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)c1nccnc1NCc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C16H19N5O2/c1-20(2)15-14(17-7-8-18-15)19-11-12-3-5-13(6-4-12)21-9-10-23-16(21)22/h3-8H,9-11H2,1-2H3,(H,17,19)
InChIKeyCEZRPFBKZARKEE-UHFFFAOYSA-N
XLogP2.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one (CID 133475744) is 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one is CN(C)c1nccnc1NCc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CEZRPFBKZARKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20(2)15-14(17-7-8-18-15)19-11-12-3-5-13(6-4-12)21-9-10-23-16(21)22/h3-8H,9-11H2,1-2H3,(H,17,19).
What are the key properties of 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 313.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133475744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).