N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide

C24H32N4O5 — CID 3210807

IUPACN-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C24H32N4O5/c1-16(2)18-6-8-19(9-7-18)28(15-23(30)25-14-20-5-4-12-32-20)24(31)11-10-22(29)26-21-13-17(3)33-27-21/h6-9,13,16,20H,4-5,10-12,14-15H2,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyPIEYSERTBHTYLI-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.15
Rot. Bonds10

About N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide

N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide (PubChem CID 3210807) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide
PubChem CID3210807
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C24H32N4O5/c1-16(2)18-6-8-19(9-7-18)28(15-23(30)25-14-20-5-4-12-32-20)24(31)11-10-22(29)26-21-13-17(3)33-27-21/h6-9,13,16,20H,4-5,10-12,14-15H2,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyPIEYSERTBHTYLI-UHFFFAOYSA-N
XLogP3.15
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide (CID 3210807) is N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)c2ccc(C(C)C)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide?
The InChIKey is PIEYSERTBHTYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-16(2)18-6-8-19(9-7-18)28(15-23(30)25-14-20-5-4-12-32-20)24(31)11-10-22(29)26-21-13-17(3)33-27-21/h6-9,13,16,20H,4-5,10-12,14-15H2,1-3H3,(H,25,30)(H,26,27,29).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide?
N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide has a molecular weight of 456.54 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(4-propan-2-ylphenyl)butanediamide is sourced from PubChem (CID 3210807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).