N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride

C19H21ClN4O2 — CID 11372206

IUPACN-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)no1.Cl
InChIInChI=1S/C19H20N4O2.ClH/c1-20-12-5-13-21-18(24)19-22-17(23-25-19)16-10-8-15(9-11-16)14-6-3-2-4-7-14;/h2-4,6-11,20H,5,12-13H2,1H3,(H,21,24);1H
InChIKeyOYVXJYQFMGIKQU-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.16
Rot. Bonds7

About N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride

N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride (PubChem CID 11372206) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride
PubChem CID11372206
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)no1.Cl
InChIInChI=1S/C19H20N4O2.ClH/c1-20-12-5-13-21-18(24)19-22-17(23-25-19)16-10-8-15(9-11-16)14-6-3-2-4-7-14;/h2-4,6-11,20H,5,12-13H2,1H3,(H,21,24);1H
InChIKeyOYVXJYQFMGIKQU-UHFFFAOYSA-N
XLogP3.16
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 19576133
3-[4-(dimethylamino)phenyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 29139817
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083936
3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16764583
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084206
N-[2-[(2-bromobenzoyl)amino]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083511
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41129917
N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083164
N-[2-[(2-naphthalen-2-yloxyacetyl)amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083198

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride (CID 11372206) is N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride is CNCCCNC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)no1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
The InChIKey is OYVXJYQFMGIKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.ClH/c1-20-12-5-13-21-18(24)19-22-17(23-25-19)16-10-8-15(9-11-16)14-6-3-2-4-7-14;/h2-4,6-11,20H,5,12-13H2,1H3,(H,21,24);1H.
What are the key properties of N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride?
N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 11372206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).