[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

C20H24N4O5 — CID 46685684

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OC(CC)C(=O)Nc2cc(C)on2)c2ccccc21
InChIInChI=1S/C20H24N4O5/c1-4-10-23-14-8-6-7-9-15(14)24(20(23)27)12-18(25)28-16(5-2)19(26)21-17-11-13(3)29-22-17/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,21,22,26)
InChIKeySVQFHBLANZQXQE-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.47
Rot. Bonds8

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (PubChem CID 46685684) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
PubChem CID46685684
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OC(CC)C(=O)Nc2cc(C)on2)c2ccccc21
InChIInChI=1S/C20H24N4O5/c1-4-10-23-14-8-6-7-9-15(14)24(20(23)27)12-18(25)28-16(5-2)19(26)21-17-11-13(3)29-22-17/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,21,22,26)
InChIKeySVQFHBLANZQXQE-UHFFFAOYSA-N
XLogP2.47
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)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

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18228530
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate
CID 118265067
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-bromophenyl)sulfanylacetate
CID 55445645
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(methylamino)benzoate
CID 16572251
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (E)-3-phenylprop-2-enoate
CID 46683493
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063523
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 27352608
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-hydroxybenzoate
CID 41037165
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 24649256
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
CID 51263679
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-iodobenzoate
CID 46644211

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (CID 46685684) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is CCCn1c(=O)n(CC(=O)OC(CC)C(=O)Nc2cc(C)on2)c2ccccc21.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The InChIKey is SVQFHBLANZQXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-4-10-23-14-8-6-7-9-15(14)24(20(23)27)12-18(25)28-16(5-2)19(26)21-17-11-13(3)29-22-17/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,21,22,26).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate has a molecular weight of 400.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 46685684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).