[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate

C18H21Cl2N3O7S — CID 24527190

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate
SMILESCCC(OC(=O)C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)O)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H21Cl2N3O7S/c1-4-14(17(25)21-15-7-9(2)30-22-15)29-18(26)16(10(3)24)23-31(27,28)11-5-6-12(19)13(20)8-11/h5-8,10,14,16,23-24H,4H2,1-3H3,(H,21,22,25)
InChIKeyDPRLRKJYNTYBLC-UHFFFAOYSA-N
MW494.35 g/mol
LogP2.28
Rot. Bonds9

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate (PubChem CID 24527190) has the molecular formula C18H21Cl2N3O7S and a molecular weight of 494.35 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate
PubChem CID24527190
Molecular FormulaC18H21Cl2N3O7S
Molecular Weight494.35 g/mol
Exact Mass493.05
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate
SMILESCCC(OC(=O)C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)O)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H21Cl2N3O7S/c1-4-14(17(25)21-15-7-9(2)30-22-15)29-18(26)16(10(3)24)23-31(27,28)11-5-6-12(19)13(20)8-11/h5-8,10,14,16,23-24H,4H2,1-3H3,(H,21,22,25)
InChIKeyDPRLRKJYNTYBLC-UHFFFAOYSA-N
XLogP2.28
TPSA147.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate with MolForge

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Launch Full Analysis

Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate
CID 24526531
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 16571886
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 4843405
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16572275
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-hydroxybenzoate
CID 41037165
(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110304375
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 7828201
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 26009404
[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate
CID 25049000
N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide
CID 42924513

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate (CID 24527190) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate is CCC(OC(=O)C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)O)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate?
The InChIKey is DPRLRKJYNTYBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O7S/c1-4-14(17(25)21-15-7-9(2)30-22-15)29-18(26)16(10(3)24)23-31(27,28)11-5-6-12(19)13(20)8-11/h5-8,10,14,16,23-24H,4H2,1-3H3,(H,21,22,25).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate has a molecular weight of 494.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 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-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate is sourced from PubChem (CID 24527190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).