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

C30H26FN3O4 — CID 69422622

IUPAC3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CCC(=O)O)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C30H26FN3O4/c1-20-27(32-30(38-20)23-5-3-2-4-6-23)19-37-26-14-7-21(8-15-26)17-34-18-24(11-16-28(35)36)29(33-34)22-9-12-25(31)13-10-22/h2-10,12-15,18H,11,16-17,19H2,1H3,(H,35,36)
InChIKeyRFSUUXIRULYMOH-UHFFFAOYSA-N
MW511.55 g/mol
LogP6.30
Rot. Bonds10

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

3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid (PubChem CID 69422622) has the molecular formula C30H26FN3O4 and a molecular weight of 511.55 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
PubChem CID69422622
Molecular FormulaC30H26FN3O4
Molecular Weight511.55 g/mol
Exact Mass511.19
IUPAC Name3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CCC(=O)O)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C30H26FN3O4/c1-20-27(32-30(38-20)23-5-3-2-4-6-23)19-37-26-14-7-21(8-15-26)17-34-18-24(11-16-28(35)36)29(33-34)22-9-12-25(31)13-10-22/h2-10,12-15,18H,11,16-17,19H2,1H3,(H,35,36)
InChIKeyRFSUUXIRULYMOH-UHFFFAOYSA-N
XLogP6.30
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.55
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[[4-(3-iodopropyl)-3-phenylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 23024979
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
ethyl 3-[3-ethoxy-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoate
CID 23021915
[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
CID 69424441
3-[3-phenyl-1-[[4-[(5-phenyl-3-pyridinyl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
CID 69421747
ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate
CID 23024781
[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 69423063
3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159832
2-[1-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-3-phenylpyrazol-4-yl]butanoic acid
CID 70123059
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
2-[[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]methylidene]butanoic acid
CID 69422741
methyl 1-benzyl-3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfonylamino]pyrazole-4-carboxylate
CID 11341956

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid (CID 69422622) is 3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CCC(=O)O)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid?
The InChIKey is RFSUUXIRULYMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O4/c1-20-27(32-30(38-20)23-5-3-2-4-6-23)19-37-26-14-7-21(8-15-26)17-34-18-24(11-16-28(35)36)29(33-34)22-9-12-25(31)13-10-22/h2-10,12-15,18H,11,16-17,19H2,1H3,(H,35,36).
What are the key properties of 3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid?
3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid has a molecular weight of 511.55 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 69422622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).