N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide

C15H17N3O2 — CID 43974215

IUPACN-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CC3)o2)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-3-4-11(7-10(9)2)8-13-17-18-15(20-13)16-14(19)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,18,19)
InChIKeySPJUAYGHISDMMC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.63
Rot. Bonds4

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

N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 43974215) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
PubChem CID43974215
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CC3)o2)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-3-4-11(7-10(9)2)8-13-17-18-15(20-13)16-14(19)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,18,19)
InChIKeySPJUAYGHISDMMC-UHFFFAOYSA-N
XLogP2.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (CID 43974215) is N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is Cc1ccc(Cc2nnc(NC(=O)C3CC3)o2)cc1C.
What is the InChIKey of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is SPJUAYGHISDMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-3-4-11(7-10(9)2)8-13-17-18-15(20-13)16-14(19)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,18,19).
What are the key properties of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 43974215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).