3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile

C22H17N3O3 — CID 69281890

IUPAC3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3cccnc3C#N)c2)c1
InChIInChI=1S/C22H17N3O3/c1-27-17-8-3-7-16(12-17)21-20(25-22(26)28-21)15-6-2-5-14(11-15)18-9-4-10-24-19(18)13-23/h2-12,20-21H,1H3,(H,25,26)/t20-,21-/m1/s1
InChIKeySXXIEZYHRHDDOR-NHCUHLMSSA-N
MW371.40 g/mol
LogP4.15
Rot. Bonds4

About 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile

3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile (PubChem CID 69281890) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile
PubChem CID69281890
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3cccnc3C#N)c2)c1
InChIInChI=1S/C22H17N3O3/c1-27-17-8-3-7-16(12-17)21-20(25-22(26)28-21)15-6-2-5-14(11-15)18-9-4-10-24-19(18)13-23/h2-12,20-21H,1H3,(H,25,26)/t20-,21-/m1/s1
InChIKeySXXIEZYHRHDDOR-NHCUHLMSSA-N
XLogP4.15
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile (CID 69281890) is 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile is COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3cccnc3C#N)c2)c1.
What is the InChIKey of 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile?
The InChIKey is SXXIEZYHRHDDOR-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-27-17-8-3-7-16(12-17)21-20(25-22(26)28-21)15-6-2-5-14(11-15)18-9-4-10-24-19(18)13-23/h2-12,20-21H,1H3,(H,25,26)/t20-,21-/m1/s1.
What are the key properties of 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile?
3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile has a molecular weight of 371.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 69281890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).