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

C25H19N3O3 — CID 123274472

IUPAC[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1C(O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C25H19N3O3/c1-16-21(22(29)25-27-26-24(30-25)20-10-6-3-7-11-20)23(31-28-16)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15,22,29H,1H3
InChIKeyCAIXLCXKBGPKFW-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.45
Rot. Bonds5

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

[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (PubChem CID 123274472) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.

Molecular Properties

Compound Name[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
PubChem CID123274472
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1C(O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C25H19N3O3/c1-16-21(22(29)25-27-26-24(30-25)20-10-6-3-7-11-20)23(31-28-16)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15,22,29H,1H3
InChIKeyCAIXLCXKBGPKFW-UHFFFAOYSA-N
XLogP5.45
TPSA85.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol
CID 123261039
[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol
CID 66577726
(S)-(3-methylthiophen-2-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2393134
(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2123355
4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazol-5-yl]phenyl]benzoic acid
CID 148935050
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 66579316
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
CID 67031947
2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 118528215
(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol
CID 70130064
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158215
1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol
CID 67092921

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The IUPAC name of [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (CID 123274472) is [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.
What is the SMILES notation for [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The canonical SMILES for [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1C(O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The InChIKey is CAIXLCXKBGPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-16-21(22(29)25-27-26-24(30-25)20-10-6-3-7-11-20)23(31-28-16)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15,22,29H,1H3.
What are the key properties of [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol has a molecular weight of 409.45 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is sourced from PubChem (CID 123274472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).