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

C10H17F3N4O — CID 106962442

IUPACN-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(N(C)CCC(F)(F)F)o1
InChIInChI=1S/C10H17F3N4O/c1-7(2)14-6-8-15-16-9(18-8)17(3)5-4-10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyZJOGUJISQHGFEJ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.96
Rot. Bonds6

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

N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962442) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962442
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC NameN-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(N(C)CCC(F)(F)F)o1
InChIInChI=1S/C10H17F3N4O/c1-7(2)14-6-8-15-16-9(18-8)17(3)5-4-10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyZJOGUJISQHGFEJ-UHFFFAOYSA-N
XLogP1.96
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine (CID 106962442) is N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(N(C)CCC(F)(F)F)o1.
What is the InChIKey of N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZJOGUJISQHGFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-7(2)14-6-8-15-16-9(18-8)17(3)5-4-10(11,12)13/h7,14H,4-6H2,1-3H3.
What are the key properties of N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 266.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).