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

C19H19N3O3 — CID 25284205

IUPACN-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCc1nnc(-c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)o1
InChIInChI=1S/C19H19N3O3/c1-12(2)24-17-10-6-14(7-11-17)18(23)20-16-8-4-15(5-9-16)19-22-21-13(3)25-19/h4-12H,1-3H3,(H,20,23)
InChIKeyYMGDSRQSJFXGAT-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.08
Rot. Bonds5

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

N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 25284205) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
PubChem CID25284205
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCc1nnc(-c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)o1
InChIInChI=1S/C19H19N3O3/c1-12(2)24-17-10-6-14(7-11-17)18(23)20-16-8-4-15(5-9-16)19-22-21-13(3)25-19/h4-12H,1-3H3,(H,20,23)
InChIKeyYMGDSRQSJFXGAT-UHFFFAOYSA-N
XLogP4.08
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide (CID 25284205) is N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide is Cc1nnc(-c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)o1.
What is the InChIKey of N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is YMGDSRQSJFXGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)24-17-10-6-14(7-11-17)18(23)20-16-8-4-15(5-9-16)19-22-21-13(3)25-19/h4-12H,1-3H3,(H,20,23).
What are the key properties of N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 25284205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).