4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide

C21H23N3O2 — CID 683365

IUPAC4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(C)C
InChIInChI=1S/C21H23N3O2/c1-14(2)24(15(3)4)21(25)18-12-10-17(11-13-18)20-23-22-19(26-20)16-8-6-5-7-9-16/h5-15H,1-4H3
InChIKeyCKNRUUHIOKNIKO-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.66
Rot. Bonds5

About 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide

4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide (PubChem CID 683365) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide
PubChem CID683365
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(C)C
InChIInChI=1S/C21H23N3O2/c1-14(2)24(15(3)4)21(25)18-12-10-17(11-13-18)20-23-22-19(26-20)16-8-6-5-7-9-16/h5-15H,1-4H3
InChIKeyCKNRUUHIOKNIKO-UHFFFAOYSA-N
XLogP4.66
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide (CID 683365) is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(C)C.
What is the InChIKey of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is CKNRUUHIOKNIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)24(15(3)4)21(25)18-12-10-17(11-13-18)20-23-22-19(26-20)16-8-6-5-7-9-16/h5-15H,1-4H3.
What are the key properties of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide?
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 683365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).