N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C25H23N3O3 — CID 24606756

IUPACN-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H23N3O3/c1-3-22(17-13-15-21(30-2)16-14-17)26-23(29)18-9-11-20(12-10-18)25-28-27-24(31-25)19-7-5-4-6-8-19/h4-16,22H,3H2,1-2H3,(H,26,29)
InChIKeyICESUAPSMDTORK-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.29
Rot. Bonds7

About N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 24606756) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID24606756
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H23N3O3/c1-3-22(17-13-15-21(30-2)16-14-17)26-23(29)18-9-11-20(12-10-18)25-28-27-24(31-25)19-7-5-4-6-8-19/h4-16,22H,3H2,1-2H3,(H,26,29)
InChIKeyICESUAPSMDTORK-UHFFFAOYSA-N
XLogP5.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
N-[(1R)-1-(4-methoxyphenyl)propyl]-1-phenylpyrazole-4-carboxamide
CID 27853835
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
4-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 28574896
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 24606756) is N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is CCC(NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ICESUAPSMDTORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-22(17-13-15-21(30-2)16-14-17)26-23(29)18-9-11-20(12-10-18)25-28-27-24(31-25)19-7-5-4-6-8-19/h4-16,22H,3H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 413.48 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 24606756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).