ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate

C25H28N4O5 — CID 156906527

IUPACethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H28N4O5/c1-5-34-21(30)14-27-23(31)22(17-7-6-12-26-13-17)29(24(32)20-15-33-16-28-20)19-10-8-18(9-11-19)25(2,3)4/h6-13,15-16,22H,5,14H2,1-4H3,(H,27,31)
InChIKeyDVVNJLDZAKWTBH-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.43
Rot. Bonds8

About ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate

ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate (PubChem CID 156906527) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate
PubChem CID156906527
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Nameethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H28N4O5/c1-5-34-21(30)14-27-23(31)22(17-7-6-12-26-13-17)29(24(32)20-15-33-16-28-20)19-10-8-18(9-11-19)25(2,3)4/h6-13,15-16,22H,5,14H2,1-4H3,(H,27,31)
InChIKeyDVVNJLDZAKWTBH-UHFFFAOYSA-N
XLogP3.43
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-N-[2-[(3,3-difluorocyclobutyl)amino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
CID 156906533
2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide
CID 166816086
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide
CID 45489437
(2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040656
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltetrazol-2-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 156906404
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide
CID 45489439
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 156906406
N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 44634782
N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 46897843
2-[(4-tert-butylphenyl)-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 166791221
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-thiazole-4-carboxamide
CID 156906398
2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 156893603

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate (CID 156906527) is ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate is CCOC(=O)CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate?
The InChIKey is DVVNJLDZAKWTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-5-34-21(30)14-27-23(31)22(17-7-6-12-26-13-17)29(24(32)20-15-33-16-28-20)19-10-8-18(9-11-19)25(2,3)4/h6-13,15-16,22H,5,14H2,1-4H3,(H,27,31).
What are the key properties of ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate?
ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate has a molecular weight of 464.52 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate is sourced from PubChem (CID 156906527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).