5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine

C15H21FN4O — CID 106969194

IUPAC5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCCc2cccc(F)c2)o1
InChIInChI=1S/C15H21FN4O/c1-15(2,3)18-10-13-19-20-14(21-13)17-8-7-11-5-4-6-12(16)9-11/h4-6,9,18H,7-8,10H2,1-3H3,(H,17,20)
InChIKeySEAFRKWBIHOQSJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.75
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106969194) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106969194
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCCc2cccc(F)c2)o1
InChIInChI=1S/C15H21FN4O/c1-15(2,3)18-10-13-19-20-14(21-13)17-8-7-11-5-4-6-12(16)9-11/h4-6,9,18H,7-8,10H2,1-3H3,(H,17,20)
InChIKeySEAFRKWBIHOQSJ-UHFFFAOYSA-N
XLogP2.75
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361
5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960385
N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960288
5-[(tert-butylamino)methyl]-N-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968170
5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969561
5-(2-chloroethyl)-N-[2-(3,5-difluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957536
5-[(tert-butylamino)methyl]-N-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106968953
5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981
N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600378
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106963148
N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966531

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106969194) is 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(NCCc2cccc(F)c2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SEAFRKWBIHOQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-15(2,3)18-10-13-19-20-14(21-13)17-8-7-11-5-4-6-12(16)9-11/h4-6,9,18H,7-8,10H2,1-3H3,(H,17,20).
What are the key properties of 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 292.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).