(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C24H24F3N5O3 — CID 25097429

IUPAC(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(N3CCN(C[C@@H]4CN(c5cccc(C(F)(F)F)c5)C(=O)O4)CC3)c2n1
InChIInChI=1S/C24H24F3N5O3/c1-34-21-6-5-19-22(29-21)20(7-8-28-19)31-11-9-30(10-12-31)14-18-15-32(23(33)35-18)17-4-2-3-16(13-17)24(25,26)27/h2-8,13,18H,9-12,14-15H2,1H3/t18-/m1/s1
InChIKeyYUEXYYYZCWGOLD-GOSISDBHSA-N
MW487.48 g/mol
LogP3.80
Rot. Bonds5

About (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 25097429) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID25097429
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(N3CCN(C[C@@H]4CN(c5cccc(C(F)(F)F)c5)C(=O)O4)CC3)c2n1
InChIInChI=1S/C24H24F3N5O3/c1-34-21-6-5-19-22(29-21)20(7-8-28-19)31-11-9-30(10-12-31)14-18-15-32(23(33)35-18)17-4-2-3-16(13-17)24(25,26)27/h2-8,13,18H,9-12,14-15H2,1H3/t18-/m1/s1
InChIKeyYUEXYYYZCWGOLD-GOSISDBHSA-N
XLogP3.80
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 25097429) is (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(N3CCN(C[C@@H]4CN(c5cccc(C(F)(F)F)c5)C(=O)O4)CC3)c2n1.
What is the InChIKey of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is YUEXYYYZCWGOLD-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-34-21-6-5-19-22(29-21)20(7-8-28-19)31-11-9-30(10-12-31)14-18-15-32(23(33)35-18)17-4-2-3-16(13-17)24(25,26)27/h2-8,13,18H,9-12,14-15H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 487.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25097429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).