N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine

C13H17N3O — CID 122215897

IUPACN-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCCCCCNc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-2-3-7-10-14-13-15-12(16-17-13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,14,15,16)
InChIKeyBPCBPDWFWPKKEA-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.34
Rot. Bonds6

About N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine

N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine (PubChem CID 122215897) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
PubChem CID122215897
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCCCCCNc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-2-3-7-10-14-13-15-12(16-17-13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,14,15,16)
InChIKeyBPCBPDWFWPKKEA-UHFFFAOYSA-N
XLogP3.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.34
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

4-methyl-N-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propyl]benzenesulfonamide
CID 131936556
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 121222906
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 131903577
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate
CID 4126918
3-(4-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594488
3-(3-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 55095768
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62596320
5-[(4-octylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
CID 155566908

Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine (CID 122215897) is N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine is CCCCCNc1nc(-c2ccccc2)no1.
What is the InChIKey of N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine?
The InChIKey is BPCBPDWFWPKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-7-10-14-13-15-12(16-17-13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,14,15,16).
What are the key properties of N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine?
N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 122215897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).