N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

C16H22N4O2 — CID 110393382

IUPACN-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C16H22N4O2/c1-20(2)12-6-11-17-15(21)16-19-18-14(22-16)10-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,17,21)
InChIKeyVIELHXWKBMWLPT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.54
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393382) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393382
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C16H22N4O2/c1-20(2)12-6-11-17-15(21)16-19-18-14(22-16)10-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,17,21)
InChIKeyVIELHXWKBMWLPT-UHFFFAOYSA-N
XLogP1.54
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393376
5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide
CID 110393366
N-[3-(dimethylamino)propyl]-4-[5-(7-phenylheptyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 58884787
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
4-(5-benzyl-1,3,4-oxadiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 21108809
N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56873346
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
N-[3-(dimethylamino)propyl]-4-[5-(3-phenylpropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21108980
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
N-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393466

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110393382) is N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is CN(C)CCCNC(=O)c1nnc(CCc2ccccc2)o1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is VIELHXWKBMWLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-20(2)12-6-11-17-15(21)16-19-18-14(22-16)10-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,17,21).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).