N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide

C19H19N3O3S — CID 42209438

IUPACN-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide
SMILESC[C@H](CC(=O)NCc1coc(-c2cccs2)n1)NC(=O)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-13(21-18(24)14-6-3-2-4-7-14)10-17(23)20-11-15-12-25-19(22-15)16-8-5-9-26-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeySJOFCPKCKCDNGM-CYBMUJFWSA-N
MW369.45 g/mol
LogP3.23
Rot. Bonds7

About N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide

N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide (PubChem CID 42209438) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide
PubChem CID42209438
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide
SMILESC[C@H](CC(=O)NCc1coc(-c2cccs2)n1)NC(=O)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-13(21-18(24)14-6-3-2-4-7-14)10-17(23)20-11-15-12-25-19(22-15)16-8-5-9-26-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeySJOFCPKCKCDNGM-CYBMUJFWSA-N
XLogP3.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide with MolForge

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Related Compounds

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1-(2-methoxyethyl)-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide?
The IUPAC name of N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide (CID 42209438) is N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide is C[C@H](CC(=O)NCc1coc(-c2cccs2)n1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide?
The InChIKey is SJOFCPKCKCDNGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(21-18(24)14-6-3-2-4-7-14)10-17(23)20-11-15-12-25-19(22-15)16-8-5-9-26-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide?
N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide has a molecular weight of 369.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide is sourced from PubChem (CID 42209438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).