N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide

C26H20ClN5O4 — CID 71045052

IUPACN-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide
SMILESCC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC4CN(c5ccc(Cl)cn5)C(=O)O4)cc3)oc12
InChIInChI=1S/C26H20ClN5O4/c1-14(2)19-9-15(11-28)10-20-23(19)36-25(30-20)17-5-3-16(4-6-17)24(33)31-22-13-32(26(34)35-22)21-8-7-18(27)12-29-21/h3-10,12,14,22H,13H2,1-2H3,(H,31,33)
InChIKeyXTQXIUUDUBNELA-UHFFFAOYSA-N
MW501.93 g/mol
LogP5.25
Rot. Bonds5

About N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide

N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide (PubChem CID 71045052) has the molecular formula C26H20ClN5O4 and a molecular weight of 501.93 g/mol. Its IUPAC name is N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide
PubChem CID71045052
Molecular FormulaC26H20ClN5O4
Molecular Weight501.93 g/mol
Exact Mass501.12
IUPAC NameN-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide
SMILESCC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC4CN(c5ccc(Cl)cn5)C(=O)O4)cc3)oc12
InChIInChI=1S/C26H20ClN5O4/c1-14(2)19-9-15(11-28)10-20-23(19)36-25(30-20)17-5-3-16(4-6-17)24(33)31-22-13-32(26(34)35-22)21-8-7-18(27)12-29-21/h3-10,12,14,22H,13H2,1-2H3,(H,31,33)
InChIKeyXTQXIUUDUBNELA-UHFFFAOYSA-N
XLogP5.25
TPSA121.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.93
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide?
The IUPAC name of N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide (CID 71045052) is N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide.
What is the SMILES notation for N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide?
The canonical SMILES for N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide is CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC4CN(c5ccc(Cl)cn5)C(=O)O4)cc3)oc12.
What is the InChIKey of N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide?
The InChIKey is XTQXIUUDUBNELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O4/c1-14(2)19-9-15(11-28)10-20-23(19)36-25(30-20)17-5-3-16(4-6-17)24(33)31-22-13-32(26(34)35-22)21-8-7-18(27)12-29-21/h3-10,12,14,22H,13H2,1-2H3,(H,31,33).
What are the key properties of N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide?
N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide has a molecular weight of 501.93 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide is sourced from PubChem (CID 71045052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).