5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine

C10H15F3N4O — CID 106219738

IUPAC5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NC2(C(F)(F)F)CC2)o1
InChIInChI=1S/C10H15F3N4O/c1-6(2)14-5-7-16-17-8(18-7)15-9(3-4-9)10(11,12)13/h6,14H,3-5H2,1-2H3,(H,15,17)
InChIKeyBOTIZAHJHBDPNI-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.07
Rot. Bonds5

About 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine

5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106219738) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
PubChem CID106219738
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NC2(C(F)(F)F)CC2)o1
InChIInChI=1S/C10H15F3N4O/c1-6(2)14-5-7-16-17-8(18-7)15-9(3-4-9)10(11,12)13/h6,14H,3-5H2,1-2H3,(H,15,17)
InChIKeyBOTIZAHJHBDPNI-UHFFFAOYSA-N
XLogP2.07
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 105923838
5-[(tert-butylamino)methyl]-N-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923840
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923846
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923850
N-[2-(2,2-difluoroethoxy)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 105923856
5-[(2-methoxyethylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942432
5-[(tert-butylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942433
5-[1-(ethylamino)ethyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942435
5-[1-(methylamino)ethyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942436
5-(propylaminomethyl)-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942437
5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942438
5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942442

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine (CID 106219738) is 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(NC2(C(F)(F)F)CC2)o1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BOTIZAHJHBDPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6(2)14-5-7-16-17-8(18-7)15-9(3-4-9)10(11,12)13/h6,14H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 264.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106219738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).