(5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C19H23F2N3O4 — CID 155004519

IUPAC(5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC1CN(C(=O)C2CC2)CCN1c1c(F)cc(N2C[C@H](CO)OC2=O)cc1F
InChIInChI=1S/C19H23F2N3O4/c1-11-8-22(18(26)12-2-3-12)4-5-23(11)17-15(20)6-13(7-16(17)21)24-9-14(10-25)28-19(24)27/h6-7,11-12,14,25H,2-5,8-10H2,1H3/t11?,14-/m1/s1
InChIKeyPQQRFBCWDBFJPY-SBXXRYSUSA-N
MW395.41 g/mol
LogP1.73
Rot. Bonds4

About (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 155004519) has the molecular formula C19H23F2N3O4 and a molecular weight of 395.41 g/mol. Its IUPAC name is (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID155004519
Molecular FormulaC19H23F2N3O4
Molecular Weight395.41 g/mol
Exact Mass395.17
IUPAC Name(5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC1CN(C(=O)C2CC2)CCN1c1c(F)cc(N2C[C@H](CO)OC2=O)cc1F
InChIInChI=1S/C19H23F2N3O4/c1-11-8-22(18(26)12-2-3-12)4-5-23(11)17-15(20)6-13(7-16(17)21)24-9-14(10-25)28-19(24)27/h6-7,11-12,14,25H,2-5,8-10H2,1H3/t11?,14-/m1/s1
InChIKeyPQQRFBCWDBFJPY-SBXXRYSUSA-N
XLogP1.73
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-[3,5-difluoro-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 126483695
(5S)-3-[3,5-difluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10267740
(5S)-3-[4-(4-acetylpiperazin-1-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 59953051
(5R)-3-[3,5-difluoro-4-(1,5-thiazocan-5-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 126495986
(5R)-3-[(3aS)-9-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10968840
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
benzyl 4-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 91599707
3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 175116474
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
3-[3,5-difluoro-4-(methoxymethoxy)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68637564
3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 143999318
3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine
CID 143999327

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 155004519) is (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CC1CN(C(=O)C2CC2)CCN1c1c(F)cc(N2C[C@H](CO)OC2=O)cc1F.
What is the InChIKey of (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is PQQRFBCWDBFJPY-SBXXRYSUSA-N. The full InChI is InChI=1S/C19H23F2N3O4/c1-11-8-22(18(26)12-2-3-12)4-5-23(11)17-15(20)6-13(7-16(17)21)24-9-14(10-25)28-19(24)27/h6-7,11-12,14,25H,2-5,8-10H2,1H3/t11?,14-/m1/s1.
What are the key properties of (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 395.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 155004519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).