[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol

C26H23N3O3S — CID 69424441

IUPAC[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CO)c(-c3cccs3)n2)cc1
InChIInChI=1S/C26H23N3O3S/c1-18-23(27-26(32-18)20-6-3-2-4-7-20)17-31-22-11-9-19(10-12-22)14-29-15-21(16-30)25(28-29)24-8-5-13-33-24/h2-13,15,30H,14,16-17H2,1H3
InChIKeyPOVNQVFTKOCMSQ-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.69
Rot. Bonds8

About [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol

[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol (PubChem CID 69424441) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
PubChem CID69424441
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CO)c(-c3cccs3)n2)cc1
InChIInChI=1S/C26H23N3O3S/c1-18-23(27-26(32-18)20-6-3-2-4-7-20)17-31-22-11-9-19(10-12-22)14-29-15-21(16-30)25(28-29)24-8-5-13-33-24/h2-13,15,30H,14,16-17H2,1H3
InChIKeyPOVNQVFTKOCMSQ-UHFFFAOYSA-N
XLogP5.69
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
[1-[[4-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
CID 69422251
4-[[4-[[4-(3-iodopropyl)-3-phenylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 23024979
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
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-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol
CID 69217757
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-oxo-3-[[1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methoxy]propanoic acid
CID 69421679
methyl 1-benzyl-3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfonylamino]pyrazole-4-carboxylate
CID 11341956
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
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-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol (CID 69424441) is [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol is Cc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CO)c(-c3cccs3)n2)cc1.
What is the InChIKey of [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
The InChIKey is POVNQVFTKOCMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-18-23(27-26(32-18)20-6-3-2-4-7-20)17-31-22-11-9-19(10-12-22)14-29-15-21(16-30)25(28-29)24-8-5-13-33-24/h2-13,15,30H,14,16-17H2,1H3.
What are the key properties of [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol has a molecular weight of 457.56 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 69424441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).