(5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate

C14H15BrN2O5S — CID 8953156

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate
SMILESCc1cc(COC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C14H15BrN2O5S/c1-10-8-12(17-22-10)9-21-14(18)6-7-16-23(19,20)13-4-2-11(15)3-5-13/h2-5,8,16H,6-7,9H2,1H3
InChIKeyIKJOATHMBMBYNJ-UHFFFAOYSA-N
MW403.25 g/mol
LogP2.16
Rot. Bonds7

About (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate

(5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate (PubChem CID 8953156) has the molecular formula C14H15BrN2O5S and a molecular weight of 403.25 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate
PubChem CID8953156
Molecular FormulaC14H15BrN2O5S
Molecular Weight403.25 g/mol
Exact Mass401.99
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate
SMILESCc1cc(COC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C14H15BrN2O5S/c1-10-8-12(17-22-10)9-21-14(18)6-7-16-23(19,20)13-4-2-11(15)3-5-13/h2-5,8,16H,6-7,9H2,1H3
InChIKeyIKJOATHMBMBYNJ-UHFFFAOYSA-N
XLogP2.16
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate 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

(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880494
(5-methyl-1,2-oxazol-3-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate
CID 46821582
(5-methyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 166193298
[2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(4-bromophenyl)sulfonylamino]propanoate
CID 9071100
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17225907
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55539361
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
ethyl (3S)-3-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]butanoate
CID 99815138

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate (CID 8953156) is (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate is Cc1cc(COC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate?
The InChIKey is IKJOATHMBMBYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O5S/c1-10-8-12(17-22-10)9-21-14(18)6-7-16-23(19,20)13-4-2-11(15)3-5-13/h2-5,8,16H,6-7,9H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate?
(5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate has a molecular weight of 403.25 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8953156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).