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

C7H11F2N3O — CID 62139062

IUPACN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-4(2)10-3-5-11-12-7(13-5)6(8)9/h4,6,10H,3H2,1-2H3
InChIKeyWIHYDERHOLMBTC-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.51
Rot. Bonds4

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

N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62139062) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62139062
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-4(2)10-3-5-11-12-7(13-5)6(8)9/h4,6,10H,3H2,1-2H3
InChIKeyWIHYDERHOLMBTC-UHFFFAOYSA-N
XLogP1.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62139062) is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(C(F)F)o1.
What is the InChIKey of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is WIHYDERHOLMBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-4(2)10-3-5-11-12-7(13-5)6(8)9/h4,6,10H,3H2,1-2H3.
What are the key properties of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 191.18 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62139062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).