N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine

C12H13F2N3O — CID 75498268

IUPACN-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H13F2N3O/c1-2-3-11-16-17-12(18-11)15-7-8-4-9(13)6-10(14)5-8/h4-6H,2-3,7H2,1H3,(H,15,17)
InChIKeyHEAFEVFPDYAEKJ-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.91
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 75498268) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID75498268
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC NameN-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H13F2N3O/c1-2-3-11-16-17-12(18-11)15-7-8-4-9(13)6-10(14)5-8/h4-6H,2-3,7H2,1H3,(H,15,17)
InChIKeyHEAFEVFPDYAEKJ-UHFFFAOYSA-N
XLogP2.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 75498268) is N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2cc(F)cc(F)c2)o1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is HEAFEVFPDYAEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-2-3-11-16-17-12(18-11)15-7-8-4-9(13)6-10(14)5-8/h4-6H,2-3,7H2,1H3,(H,15,17).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 253.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).