3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid

C24H25N3O5S — CID 11691261

IUPAC3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
SMILESCCOc1nn(Cc2ccc(OCc3nc(-c4cccs4)oc3C)cc2)cc1CCC(=O)O
InChIInChI=1S/C24H25N3O5S/c1-3-30-23-18(8-11-22(28)29)14-27(26-23)13-17-6-9-19(10-7-17)31-15-20-16(2)32-24(25-20)21-5-4-12-33-21/h4-7,9-10,12,14H,3,8,11,13,15H2,1-2H3,(H,28,29)
InChIKeyLOLRVUOOJDANQG-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.95
Rot. Bonds11

About 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid

3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid (PubChem CID 11691261) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
PubChem CID11691261
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
SMILESCCOc1nn(Cc2ccc(OCc3nc(-c4cccs4)oc3C)cc2)cc1CCC(=O)O
InChIInChI=1S/C24H25N3O5S/c1-3-30-23-18(8-11-22(28)29)14-27(26-23)13-17-6-9-19(10-7-17)31-15-20-16(2)32-24(25-20)21-5-4-12-33-21/h4-7,9-10,12,14H,3,8,11,13,15H2,1-2H3,(H,28,29)
InChIKeyLOLRVUOOJDANQG-UHFFFAOYSA-N
XLogP4.95
TPSA99.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-[4-(5-methyl-2-phenyl-4-oxazolylmethoxy)benzyl]-3-(5-trifluoromethyl-2-pyridyloxy)-1H-pyrazol-4-yl]propionic acid
CID 69421854
ethyl 3-[1-[4-(5-methyl-2-phenyl-4-oxazolylmethoxy)benzyl]-3-trifluoromethanesulfonyloxy-1H-pyrazol-4-yl]propionate
CID 86760425
Ethyl 3-[1-[4-[2-(2-furyl)-5-methyl-4-oxazolylmethoxy]benzyl]-3-trifluoromethanesulfonyloxy-1h-pyrazol-4-yl]propionate
CID 86760426
2-[[1-[[4-[[2-(Furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-3-(trifluoromethylsulfonyloxy)pyrazol-4-yl]methyl]butanoic acid
CID 88169022
5-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27373375
5-((2-(2,4-dimethoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53043171
5-((2-(4-ethoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53043175
5-((2-(4-isopropoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 53043176
[1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-3-(2-thienyl)-1H-pyrazol-4-yl]methanol
CID 56740026
ethyl 1-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1H-pyrazole-4-carboxylate
CID 56746402
3-[1-[4-(2-phenyl-4-oxazolylmethoxy)benzyl]-3-(2-thienyl)-1H-pyrazol-4-yl]propionic acid
CID 10140933
2-[1-[[4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]acetic acid
CID 10140934

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid (CID 11691261) is 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid is CCOc1nn(Cc2ccc(OCc3nc(-c4cccs4)oc3C)cc2)cc1CCC(=O)O.
What is the InChIKey of 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid?
The InChIKey is LOLRVUOOJDANQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-3-30-23-18(8-11-22(28)29)14-27(26-23)13-17-6-9-19(10-7-17)31-15-20-16(2)32-24(25-20)21-5-4-12-33-21/h4-7,9-10,12,14H,3,8,11,13,15H2,1-2H3,(H,28,29).
What are the key properties of 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid?
3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid has a molecular weight of 467.55 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxy-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 11691261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).