N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline

C14H19N3O — CID 60838055

IUPACN-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
SMILESCCCc1noc(CCCNc2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-2-7-13-16-14(18-17-13)10-6-11-15-12-8-4-3-5-9-12/h3-5,8-9,15H,2,6-7,10-11H2,1H3
InChIKeyTYTDSFPKGWSPFA-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.07
Rot. Bonds7

About N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline

N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline (PubChem CID 60838055) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
PubChem CID60838055
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
SMILESCCCc1noc(CCCNc2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-2-7-13-16-14(18-17-13)10-6-11-15-12-8-4-3-5-9-12/h3-5,8-9,15H,2,6-7,10-11H2,1H3
InChIKeyTYTDSFPKGWSPFA-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.07
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-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 106814680
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305
N-[3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 116806613
N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 64981860
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
N-[3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 116703413
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
N-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79955022
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 63719422
N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 78953796
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
The IUPAC name of N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline (CID 60838055) is N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline.
What is the SMILES notation for N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
The canonical SMILES for N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline is CCCc1noc(CCCNc2ccccc2)n1.
What is the InChIKey of N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
The InChIKey is TYTDSFPKGWSPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-7-13-16-14(18-17-13)10-6-11-15-12-8-4-3-5-9-12/h3-5,8-9,15H,2,6-7,10-11H2,1H3.
What are the key properties of N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline is sourced from PubChem (CID 60838055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).