2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide

C17H23N3O2 — CID 1257973

IUPAC2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(C)(C)C
InChIInChI=1S/C17H23N3O2/c1-12(2)20(16(21)17(3,4)5)11-14-18-15(19-22-14)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeyDUUCAQFEIQKUDC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.52
Rot. Bonds4

About 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide

2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide (PubChem CID 1257973) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
PubChem CID1257973
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(C)(C)C
InChIInChI=1S/C17H23N3O2/c1-12(2)20(16(21)17(3,4)5)11-14-18-15(19-22-14)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeyDUUCAQFEIQKUDC-UHFFFAOYSA-N
XLogP3.52
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide (CID 1257973) is 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is DUUCAQFEIQKUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)20(16(21)17(3,4)5)11-14-18-15(19-22-14)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide?
2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 1257973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).