N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C10H16F3N3O — CID 62138016

IUPACN-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNCCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O/c1-2-5-14-6-3-4-8-15-16-9(17-8)7-10(11,12)13/h14H,2-7H2,1H3
InChIKeyDPCOOBCNULLXIO-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.11
Rot. Bonds7

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

N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62138016) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62138016
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNCCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O/c1-2-5-14-6-3-4-8-15-16-9(17-8)7-10(11,12)13/h14H,2-7H2,1H3
InChIKeyDPCOOBCNULLXIO-UHFFFAOYSA-N
XLogP2.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.11
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-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 55039122
2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
CID 55039272
N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55039650
3-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62071291
3-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62072144
N-methyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137248
N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62137291
N-ethyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137800
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62138169
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138544
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138942
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139454

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62138016) is N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCCNCCCc1nnc(CC(F)(F)F)o1.
What is the InChIKey of N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is DPCOOBCNULLXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-5-14-6-3-4-8-15-16-9(17-8)7-10(11,12)13/h14H,2-7H2,1H3.
What are the key properties of N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 251.25 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62138016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).