N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C10H16F3N3O2 — CID 106417070

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1noc(CCNCCCOCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2/c1-8-15-9(18-16-8)3-5-14-4-2-6-17-7-10(11,12)13/h14H,2-7H2,1H3
InChIKeyRPYQZGAKYAXQQE-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.48
Rot. Bonds8

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106417070) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106417070
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1noc(CCNCCCOCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2/c1-8-15-9(18-16-8)3-5-14-4-2-6-17-7-10(11,12)13/h14H,2-7H2,1H3
InChIKeyRPYQZGAKYAXQQE-UHFFFAOYSA-N
XLogP1.48
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106417070) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1noc(CCNCCCOCC(F)(F)F)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is RPYQZGAKYAXQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-8-15-9(18-16-8)3-5-14-4-2-6-17-7-10(11,12)13/h14H,2-7H2,1H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.25 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106417070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).