[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C24H26N2O7S — CID 16580313

IUPAC[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESCOc1ccc(-c2cc(COC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)on2)cc1
InChIInChI=1S/C24H26N2O7S/c1-30-20-7-5-19(6-8-20)23-16-21(33-25-23)17-32-24(27)11-4-18-2-9-22(10-3-18)34(28,29)26-12-14-31-15-13-26/h2-3,5-10,16H,4,11-15,17H2,1H3
InChIKeyMYGCBMRVQSZNKV-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.05
Rot. Bonds9

About [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 16580313) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID16580313
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESCOc1ccc(-c2cc(COC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)on2)cc1
InChIInChI=1S/C24H26N2O7S/c1-30-20-7-5-19(6-8-20)23-16-21(33-25-23)17-32-24(27)11-4-18-2-9-22(10-3-18)34(28,29)26-12-14-31-15-13-26/h2-3,5-10,16H,4,11-15,17H2,1H3
InChIKeyMYGCBMRVQSZNKV-UHFFFAOYSA-N
XLogP3.05
TPSA108.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)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

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16580397
(4-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824832
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824841
2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316342
(2-methoxyphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 8761548
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 29352401
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
CID 42988742
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55551240
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 16580313) is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is COc1ccc(-c2cc(COC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)on2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is MYGCBMRVQSZNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-30-20-7-5-19(6-8-20)23-16-21(33-25-23)17-32-24(27)11-4-18-2-9-22(10-3-18)34(28,29)26-12-14-31-15-13-26/h2-3,5-10,16H,4,11-15,17H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 486.55 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 16580313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).