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

C14H17N3O — CID 54924305

IUPACN-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
SMILESc1ccc(NCCCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C14H17N3O/c1-2-5-12(6-3-1)15-10-4-7-13-16-14(17-18-13)11-8-9-11/h1-3,5-6,11,15H,4,7-10H2
InChIKeyUXCLRSPPSUTLFH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.99
Rot. Bonds6

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

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline (PubChem CID 54924305) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
PubChem CID54924305
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
SMILESc1ccc(NCCCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C14H17N3O/c1-2-5-12(6-3-1)15-10-4-7-13-16-14(17-18-13)11-8-9-11/h1-3,5-6,11,15H,4,7-10H2
InChIKeyUXCLRSPPSUTLFH-UHFFFAOYSA-N
XLogP2.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
The IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline (CID 54924305) is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline.
What is the SMILES notation for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
The canonical SMILES for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline is c1ccc(NCCCc2nc(C3CC3)no2)cc1.
What is the InChIKey of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
The InChIKey is UXCLRSPPSUTLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-5-12(6-3-1)15-10-4-7-13-16-14(17-18-13)11-8-9-11/h1-3,5-6,11,15H,4,7-10H2.
What are the key properties of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline?
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline has a molecular weight of 243.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline is sourced from PubChem (CID 54924305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).