(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate

C18H17NO4S — CID 8849121

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C18H17NO4S/c1-21-15-7-4-13(5-8-15)6-9-18(20)22-12-14-11-16(23-19-14)17-3-2-10-24-17/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKeyLJFNORGNCRYUQM-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.09
Rot. Bonds7

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate (PubChem CID 8849121) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate
PubChem CID8849121
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C18H17NO4S/c1-21-15-7-4-13(5-8-15)6-9-18(20)22-12-14-11-16(23-19-14)17-3-2-10-24-17/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKeyLJFNORGNCRYUQM-UHFFFAOYSA-N
XLogP4.09
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)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

Ethyl 5-(thiophen-2-yl)-1,2-oxazole-3-carboxylate
CID 2745138
2-(6-((5-(4-(Trifluoromethyl)phenyl)isoxazol-3-yl)methoxy)benzo[b]thiophen-3-yl)acetic acid
CID 11327951
2-(4-Methyl-6-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methoxy)benzo[b]thiophen-3-yl)acetic acid
CID 22504815
3-(4-Methoxyphenyl)-4-(2-thienyl)isoxazole
CID 145916483
Methyl 2-{2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetylamino}benzoate
CID 16020737
N-[(4-methoxyphenyl)methyl]-2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetamide
CID 16020743
Methyl 5-(2-thienyl)isoxazole-3-carboxylate
CID 1256578
[5-(2-Thienyl)-3-isoxazolyl]methyl 2-chloro-6-fluorobenzoate
CID 8647675
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate
CID 8649760
[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methyl 3-fluorobenzoate
CID 16870177
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 4-(morpholinosulfonyl)benzoate
CID 16870215
(5-(2-Fluorophenyl)isoxazol-3-yl)methyl thiophene-2-carboxylate
CID 27370212

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate (CID 8849121) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCc2cc(-c3cccs3)on2)cc1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate?
The InChIKey is LJFNORGNCRYUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-21-15-7-4-13(5-8-15)6-9-18(20)22-12-14-11-16(23-19-14)17-3-2-10-24-17/h2-5,7-8,10-11H,6,9,12H2,1H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate has a molecular weight of 343.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 8849121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).