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

C18H17N3O2 — CID 882875

IUPAC2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O2/c1-12(2)16(22)19-15-10-6-9-14(11-15)18-21-20-17(23-18)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,19,22)
InChIKeyHMTDAIOLVRBUDI-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.00
Rot. Bonds4

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

2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 882875) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID882875
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O2/c1-12(2)16(22)19-15-10-6-9-14(11-15)18-21-20-17(23-18)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,19,22)
InChIKeyHMTDAIOLVRBUDI-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 882875) is 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is CC(C)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is HMTDAIOLVRBUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(2)16(22)19-15-10-6-9-14(11-15)18-21-20-17(23-18)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 307.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 882875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).