4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine

About 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine

4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine (PubChem CID 159399615) has the molecular formula C70H62ClN9O10 and a molecular weight of 1224.77 g/mol. Its IUPAC name is 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name	4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine
PubChem CID	159399615
Molecular Formula	C70H62ClN9O10
Molecular Weight	1224.77 g/mol
Exact Mass	1223.43
IUPAC Name	4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine
SMILES	CC1(C)OC(=O)N(c2ccc(C(=O)Cl)cc2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(c2ccc(C(=O)Nc3ccnc4cccnc34)cc2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccccc1.Nc1ccnc2cccnc12
InChI	InChI=1S/C26H22N4O3.C18H16ClNO3.C18H17NO4.C8H7N3/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;1-18(2)15(12-6-4-3-5-7-12)20(17(22)23-18)14-10-8-13(9-11-14)16(19)21;1-18(2)15(12-6-4-3-5-7-12)19(17(22)23-18)14-10-8-13(9-11-14)16(20)21;9-6-3-5-10-7-2-1-4-11-8(6)7/h3-16,23H,1-2H3,(H,27,29,31);3-11,15H,1-2H3;3-11,15H,1-2H3,(H,20,21);1-5H,(H2,9,10)/t23-;2*15-;/m000./s1
InChIKey	LNEBRDGDSJIOEP-GALFBIOZSA-N
XLogP	14.97
TPSA	249.67 Å²
H-Bond Donors	3
H-Bond Acceptors	14
Rotatable Bonds	10
Heavy Atoms	90
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.77
LogP ≤ 5	14.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine?

The IUPAC name of 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine (CID 159399615) is 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine.

What is the SMILES notation for 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine?

The canonical SMILES for 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine is CC1(C)OC(=O)N(c2ccc(C(=O)Cl)cc2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(c2ccc(C(=O)Nc3ccnc4cccnc34)cc2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccccc1.Nc1ccnc2cccnc12.

What is the InChIKey of 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine?

The InChIKey is LNEBRDGDSJIOEP-GALFBIOZSA-N. The full InChI is InChI=1S/C26H22N4O3.C18H16ClNO3.C18H17NO4.C8H7N3/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;1-18(2)15(12-6-4-3-5-7-12)20(17(22)23-18)14-10-8-13(9-11-14)16(19)21;1-18(2)15(12-6-4-3-5-7-12)19(17(22)23-18)14-10-8-13(9-11-14)16(20)21;9-6-3-5-10-7-2-1-4-11-8(6)7/h3-16,23H,1-2H3,(H,27,29,31);3-11,15H,1-2H3;3-11,15H,1-2H3,(H,20,21);1-5H,(H2,9,10)/t23-;2*15-;/m000./s1.

What are the key properties of 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine?

Where does this data come from?

All data for 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoyl chloride;4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide;1,5-naphthyridin-4-amine is sourced from PubChem (CID 159399615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).