[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate

C18H16N2O3 — CID 171457373

IUPAC[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate
SMILESCC(C)c1ccc(-c2nnc(-c3ccc(OC=O)cc3)o2)cc1
InChIInChI=1S/C18H16N2O3/c1-12(2)13-3-5-14(6-4-13)17-19-20-18(23-17)15-7-9-16(10-8-15)22-11-21/h3-12H,1-2H3
InChIKeyIAYVQFXNXGFQFM-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.06
Rot. Bonds5

About [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate

[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate (PubChem CID 171457373) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate.

Molecular Properties

Compound Name[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate
PubChem CID171457373
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate
SMILESCC(C)c1ccc(-c2nnc(-c3ccc(OC=O)cc3)o2)cc1
InChIInChI=1S/C18H16N2O3/c1-12(2)13-3-5-14(6-4-13)17-19-20-18(23-17)15-7-9-16(10-8-15)22-11-21/h3-12H,1-2H3
InChIKeyIAYVQFXNXGFQFM-UHFFFAOYSA-N
XLogP4.06
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 138717926
2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 71080848
3-methyl-5-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 126762897
N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62138841
2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 20603457
[3,5-di(propan-2-yl)phenyl] formate
CID 91805824
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal
CID 178127775
4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine
CID 146568100
2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 69244109
5-(4-propan-2-ylphenyl)-1,3,4-oxathiazol-2-one
CID 67057342
[4-[5-[3,5-bis[5-(4-acetyloxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 118041982

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate?
The IUPAC name of [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate (CID 171457373) is [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate.
What is the SMILES notation for [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate?
The canonical SMILES for [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate is CC(C)c1ccc(-c2nnc(-c3ccc(OC=O)cc3)o2)cc1.
What is the InChIKey of [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate?
The InChIKey is IAYVQFXNXGFQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(2)13-3-5-14(6-4-13)17-19-20-18(23-17)15-7-9-16(10-8-15)22-11-21/h3-12H,1-2H3.
What are the key properties of [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate?
[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate has a molecular weight of 308.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate is sourced from PubChem (CID 171457373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).