4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide

C26H22N4O3 — CID 71680863

IUPAC4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide
SMILESCC1(C)OC(=O)N(c2ccc(C(=O)Nc3ccnc4cccnc34)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C26H22N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)24(31)29-21-14-16-27-20-9-6-15-28-22(20)21/h3-16,23H,1-2H3,(H,27,29,31)/t23-/m0/s1
InChIKeyZNAKJYRBQMWNHT-QHCPKHFHSA-N
MW438.49 g/mol
LogP5.36
Rot. Bonds4

About 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide

4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide (PubChem CID 71680863) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide
PubChem CID71680863
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide
SMILESCC1(C)OC(=O)N(c2ccc(C(=O)Nc3ccnc4cccnc34)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C26H22N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)24(31)29-21-14-16-27-20-9-6-15-28-22(20)21/h3-16,23H,1-2H3,(H,27,29,31)/t23-/m0/s1
InChIKeyZNAKJYRBQMWNHT-QHCPKHFHSA-N
XLogP5.36
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide?
The IUPAC name of 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide (CID 71680863) is 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide.
What is the SMILES notation for 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide?
The canonical SMILES for 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide is CC1(C)OC(=O)N(c2ccc(C(=O)Nc3ccnc4cccnc34)cc2)[C@H]1c1ccccc1.
What is the InChIKey of 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide?
The InChIKey is ZNAKJYRBQMWNHT-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)24(31)29-21-14-16-27-20-9-6-15-28-22(20)21/h3-16,23H,1-2H3,(H,27,29,31)/t23-/m0/s1.
What are the key properties of 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide?
4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide has a molecular weight of 438.49 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide is sourced from PubChem (CID 71680863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).