5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine

C18H21N5O — CID 110456641

IUPAC5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
SMILESNCCCCCc1nnc(Nc2ccc(-c3ccncc3)cc2)o1
InChIInChI=1S/C18H21N5O/c19-11-3-1-2-4-17-22-23-18(24-17)21-16-7-5-14(6-8-16)15-9-12-20-13-10-15/h5-10,12-13H,1-4,11,19H2,(H,21,23)
InChIKeyQHGSBIDFKIYFGK-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.55
Rot. Bonds8

About 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine

5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 110456641) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID110456641
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
SMILESNCCCCCc1nnc(Nc2ccc(-c3ccncc3)cc2)o1
InChIInChI=1S/C18H21N5O/c19-11-3-1-2-4-17-22-23-18(24-17)21-16-7-5-14(6-8-16)15-9-12-20-13-10-15/h5-10,12-13H,1-4,11,19H2,(H,21,23)
InChIKeyQHGSBIDFKIYFGK-UHFFFAOYSA-N
XLogP3.55
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456217
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966691
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
5-(2-aminoethyl)-N-pyridazin-3-yl-1,3,4-oxadiazol-2-amine
CID 106965275
5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106966767
5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917493
5-[2-[N-[2-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]ethyl]anilino]ethyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 132525384
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
4-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]benzoic acid
CID 110456314
5-(chloromethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956629
N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
CID 10073364

Frequently Asked Questions

What is the IUPAC name of 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine (CID 110456641) is 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine is NCCCCCc1nnc(Nc2ccc(-c3ccncc3)cc2)o1.
What is the InChIKey of 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QHGSBIDFKIYFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-11-3-1-2-4-17-22-23-18(24-17)21-16-7-5-14(6-8-16)15-9-12-20-13-10-15/h5-10,12-13H,1-4,11,19H2,(H,21,23).
What are the key properties of 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine?
5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminopentyl)-N-(4-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).