(5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol

C26H21N3O3 — CID 123261039

IUPAC(5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1C(O)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C26H21N3O3/c1-17-23(24(30)26-28-27-22(31-26)16-18-8-4-2-5-9-18)25(32-29-17)21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-15,24,30H,16H2,1H3
InChIKeyUYVQYFSEAFIXOD-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.37
Rot. Bonds6

About (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol

(5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 123261039) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name(5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID123261039
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name(5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1C(O)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C26H21N3O3/c1-17-23(24(30)26-28-27-22(31-26)16-18-8-4-2-5-9-18)25(32-29-17)21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-15,24,30H,16H2,1H3
InChIKeyUYVQYFSEAFIXOD-UHFFFAOYSA-N
XLogP5.37
TPSA85.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 123274472
2-benzyl-5-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole
CID 66577754
1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 52915184
[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol
CID 66577726
1-[1-[4-[4-[4-[(5-benzyl-3-pyridinyl)-hydroxymethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropyl]ethanone
CID 122643814
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazol-5-yl]phenyl]benzoic acid
CID 148935050
2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 66579316
1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanol
CID 141296071
ethyl 1-[4-[4-[4-[(3-benzylphenyl)-hydroxymethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66577743
4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
CID 141295977
4-[(4-benzyltriazol-1-yl)methyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
CID 141297263

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol (CID 123261039) is (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1C(O)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is UYVQYFSEAFIXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-17-23(24(30)26-28-27-22(31-26)16-18-8-4-2-5-9-18)25(32-29-17)21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-15,24,30H,16H2,1H3.
What are the key properties of (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol?
(5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 423.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 123261039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).