methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate

C24H19N3O3 — CID 88958839

IUPACmethyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2cc(C)nc(N=C(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C24H19N3O3/c1-16-13-19(23-26-20(15-30-23)24(28)29-2)14-21(25-16)27-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyJRISSFGNDWVQIY-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.00
Rot. Bonds5

About methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate

methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate (PubChem CID 88958839) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate
PubChem CID88958839
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Namemethyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2cc(C)nc(N=C(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C24H19N3O3/c1-16-13-19(23-26-20(15-30-23)24(28)29-2)14-21(25-16)27-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyJRISSFGNDWVQIY-UHFFFAOYSA-N
XLogP5.00
TPSA77.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
CID 16731543
(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 67120454
methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate
CID 163675552
ethane;methyl 2-benzyl-1,3-oxazole-4-carboxylate
CID 91273560
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
methyl 2-[2-[(2-nitrophenoxy)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 129015457
ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 164735405
(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
CID 87276449
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
ethane;methyl 2-[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]-1,3-oxazole-4-carboxylate
CID 143747904
octyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71458299
methyl 5-phenylfuran-3-carboxylate
CID 10130413

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate (CID 88958839) is methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(-c2cc(C)nc(N=C(c3ccccc3)c3ccccc3)c2)n1.
What is the InChIKey of methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The InChIKey is JRISSFGNDWVQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-16-13-19(23-26-20(15-30-23)24(28)29-2)14-21(25-16)27-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3.
What are the key properties of methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate?
methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 88958839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).