N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide

C16H21N3O2 — CID 56873346

IUPACN-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)CCCc2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c1-3-8-14-17-18-15(21-14)16(20)19(2)12-7-11-13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3
InChIKeyOPYZCDAGJRKIHO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.73
Rot. Bonds7

About N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide

N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 56873346) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID56873346
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)CCCc2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c1-3-8-14-17-18-15(21-14)16(20)19(2)12-7-11-13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3
InChIKeyOPYZCDAGJRKIHO-UHFFFAOYSA-N
XLogP2.73
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56865237
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382
N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56868229
3-amino-N-methyl-N-(3-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115524
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 56879661
5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120688951
N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
CID 112826472
4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
CID 43588600
N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56879074
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide (CID 56873346) is N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide is CCCc1nnc(C(=O)N(C)CCCc2ccccc2)o1.
What is the InChIKey of N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is OPYZCDAGJRKIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-8-14-17-18-15(21-14)16(20)19(2)12-7-11-13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3.
What are the key properties of N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide?
N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 56873346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).