4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile

C24H18N2O4 — CID 11516839

IUPAC4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(Oc2ccc3c(c2)CCC[C@H]3C2OC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C24H18N2O4/c25-13-15-8-11-21(19-6-2-1-5-17(15)19)29-16-9-10-18-14(12-16)4-3-7-20(18)22-23(27)26-24(28)30-22/h1-2,5-6,8-12,20,22H,3-4,7H2,(H,26,27,28)/t20-,22?/m1/s1
InChIKeyMZSWNJQKGVEGEP-PSDZMVHGSA-N
MW398.42 g/mol
LogP4.56
Rot. Bonds3

About 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile

4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile (PubChem CID 11516839) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile
PubChem CID11516839
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(Oc2ccc3c(c2)CCC[C@H]3C2OC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C24H18N2O4/c25-13-15-8-11-21(19-6-2-1-5-17(15)19)29-16-9-10-18-14(12-16)4-3-7-20(18)22-23(27)26-24(28)30-22/h1-2,5-6,8-12,20,22H,3-4,7H2,(H,26,27,28)/t20-,22?/m1/s1
InChIKeyMZSWNJQKGVEGEP-PSDZMVHGSA-N
XLogP4.56
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile?
The IUPAC name of 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile (CID 11516839) is 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile is N#Cc1ccc(Oc2ccc3c(c2)CCC[C@H]3C2OC(=O)NC2=O)c2ccccc12.
What is the InChIKey of 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile?
The InChIKey is MZSWNJQKGVEGEP-PSDZMVHGSA-N. The full InChI is InChI=1S/C24H18N2O4/c25-13-15-8-11-21(19-6-2-1-5-17(15)19)29-16-9-10-18-14(12-16)4-3-7-20(18)22-23(27)26-24(28)30-22/h1-2,5-6,8-12,20,22H,3-4,7H2,(H,26,27,28)/t20-,22?/m1/s1.
What are the key properties of 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile?
4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile has a molecular weight of 398.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5R)-5-(2,4-dioxo-1,3-oxazolidin-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]naphthalene-1-carbonitrile is sourced from PubChem (CID 11516839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).