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

C14H20N4O2 — CID 110456217

IUPAC5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(CCCCCN)o2)cc1
InChIInChI=1S/C14H20N4O2/c1-19-12-8-6-11(7-9-12)16-14-18-17-13(20-14)5-3-2-4-10-15/h6-9H,2-5,10,15H2,1H3,(H,16,18)
InChIKeyMQBLTHOLWWALQF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.49
Rot. Bonds8

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

5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 110456217) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID110456217
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(CCCCCN)o2)cc1
InChIInChI=1S/C14H20N4O2/c1-19-12-8-6-11(7-9-12)16-14-18-17-13(20-14)5-3-2-4-10-15/h6-9H,2-5,10,15H2,1H3,(H,16,18)
InChIKeyMQBLTHOLWWALQF-UHFFFAOYSA-N
XLogP2.49
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.49
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-pyridin-4-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 110456641
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966691
5-(2-chloroethyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106956528
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 110456073
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 155807608
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
2-(4-methoxyanilino)-6-pentylthieno[2,3-d][1,3]oxazin-4-one
CID 69026444
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886

Frequently Asked Questions

What is the IUPAC name of 5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 110456217) is 5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccc(Nc2nnc(CCCCCN)o2)cc1.
What is the InChIKey of 5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MQBLTHOLWWALQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-19-12-8-6-11(7-9-12)16-14-18-17-13(20-14)5-3-2-4-10-15/h6-9H,2-5,10,15H2,1H3,(H,16,18).
What are the key properties of 5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.49, 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-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).