5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

C17H24N4O2 — CID 91105288

IUPAC5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCCCC(N)CCCCc1onc(-c2cccnc2)c1C(N)=O
InChIInChI=1S/C17H24N4O2/c1-2-6-13(18)8-3-4-9-14-15(17(19)22)16(21-23-14)12-7-5-10-20-11-12/h5,7,10-11,13H,2-4,6,8-9,18H2,1H3,(H2,19,22)
InChIKeyLBWPUFYXMOZHIG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.68
Rot. Bonds9

About 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 91105288) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID91105288
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCCCC(N)CCCCc1onc(-c2cccnc2)c1C(N)=O
InChIInChI=1S/C17H24N4O2/c1-2-6-13(18)8-3-4-9-14-15(17(19)22)16(21-23-14)12-7-5-10-20-11-12/h5,7,10-11,13H,2-4,6,8-9,18H2,1H3,(H2,19,22)
InChIKeyLBWPUFYXMOZHIG-UHFFFAOYSA-N
XLogP2.68
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.68
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

5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773932
5-(5-aminohexyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1,2-oxazole-4-carboxamide
CID 91352888
3-amino-1-pyridin-3-ylhexan-1-one
CID 116607864
N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate
CID 162478623
1-pyridin-3-ylhexan-3-amine
CID 64506028
5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 57051904
2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one
CID 59170271
5-hexyl-3-pyridin-3-yl-1,2-oxazole
CID 134695050
1-pyridin-3-ylundecan-2-amine
CID 62603230
5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368297
1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 5194686

Frequently Asked Questions

What is the IUPAC name of 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 91105288) is 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is CCCC(N)CCCCc1onc(-c2cccnc2)c1C(N)=O.
What is the InChIKey of 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is LBWPUFYXMOZHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-6-13(18)8-3-4-9-14-15(17(19)22)16(21-23-14)12-7-5-10-20-11-12/h5,7,10-11,13H,2-4,6,8-9,18H2,1H3,(H2,19,22).
What are the key properties of 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91105288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).