N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine

C14H15N3O — CID 63078828

IUPACN-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine
SMILESc1ccc(C2(c3noc(NC4CC4)n3)CC2)cc1
InChIInChI=1S/C14H15N3O/c1-2-4-10(5-3-1)14(8-9-14)12-16-13(18-17-12)15-11-6-7-11/h1-5,11H,6-9H2,(H,15,16,17)
InChIKeyZEKXCRAHCTUAGS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.72
Rot. Bonds4

About N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine

N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 63078828) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine
PubChem CID63078828
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine
SMILESc1ccc(C2(c3noc(NC4CC4)n3)CC2)cc1
InChIInChI=1S/C14H15N3O/c1-2-4-10(5-3-1)14(8-9-14)12-16-13(18-17-12)15-11-6-7-11/h1-5,11H,6-9H2,(H,15,16,17)
InChIKeyZEKXCRAHCTUAGS-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine (CID 63078828) is N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine is c1ccc(C2(c3noc(NC4CC4)n3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is ZEKXCRAHCTUAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-4-10(5-3-1)14(8-9-14)12-16-13(18-17-12)15-11-6-7-11/h1-5,11H,6-9H2,(H,15,16,17).
What are the key properties of N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 241.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 63078828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).