N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C22H25N3O3 — CID 23723997

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCC(C)(CO)CNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C22H25N3O3/c1-22(2,15-26)14-23-19(27)12-13-20-24-25-21(28-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,26H,12-15H2,1-2H3,(H,23,27)
InChIKeyNIKYNHPQBDCLSJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.47
Rot. Bonds8

About N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 23723997) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID23723997
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCC(C)(CO)CNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C22H25N3O3/c1-22(2,15-26)14-23-19(27)12-13-20-24-25-21(28-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,26H,12-15H2,1-2H3,(H,23,27)
InChIKeyNIKYNHPQBDCLSJ-UHFFFAOYSA-N
XLogP3.47
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 23723997) is N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CC(C)(CO)CNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is NIKYNHPQBDCLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2,15-26)14-23-19(27)12-13-20-24-25-21(28-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,26H,12-15H2,1-2H3,(H,23,27).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 23723997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).