N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide

C22H19N3O2 — CID 134798057

IUPACN-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc2nc(-c3cccnc3)oc2c1
InChIInChI=1S/C22H19N3O2/c26-21(24-13-4-8-16-6-2-1-3-7-16)17-10-11-19-20(14-17)27-22(25-19)18-9-5-12-23-15-18/h1-3,5-7,9-12,14-15H,4,8,13H2,(H,24,26)
InChIKeyUKCHNKJZYFLXDS-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.25
Rot. Bonds6

About N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide

N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 134798057) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide
PubChem CID134798057
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc2nc(-c3cccnc3)oc2c1
InChIInChI=1S/C22H19N3O2/c26-21(24-13-4-8-16-6-2-1-3-7-16)17-10-11-19-20(14-17)27-22(25-19)18-9-5-12-23-15-18/h1-3,5-7,9-12,14-15H,4,8,13H2,(H,24,26)
InChIKeyUKCHNKJZYFLXDS-UHFFFAOYSA-N
XLogP4.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide
CID 134798841
N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide
CID 134797621
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide
CID 90300807
N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134797727
N-[3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl]-2-phenyl-1,3-benzoxazole-6-carboxamide
CID 100624637
3-pyridin-3-ylpropyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 156813887
N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 158758339
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 42521796
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide (CID 134798057) is N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide is O=C(NCCCc1ccccc1)c1ccc2nc(-c3cccnc3)oc2c1.
What is the InChIKey of N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is UKCHNKJZYFLXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21(24-13-4-8-16-6-2-1-3-7-16)17-10-11-19-20(14-17)27-22(25-19)18-9-5-12-23-15-18/h1-3,5-7,9-12,14-15H,4,8,13H2,(H,24,26).
What are the key properties of N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide?
N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 134798057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).