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

C14H18F2N4O — CID 106960385

IUPAC5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCc2ccc(F)cc2F)o1
InChIInChI=1S/C14H18F2N4O/c1-14(2,3)18-8-12-19-20-13(21-12)17-7-9-4-5-10(15)6-11(9)16/h4-6,18H,7-8H2,1-3H3,(H,17,20)
InChIKeyVRLSOPQGUKZQKW-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.85
Rot. Bonds5

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

5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960385) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960385
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NCc2ccc(F)cc2F)o1
InChIInChI=1S/C14H18F2N4O/c1-14(2,3)18-8-12-19-20-13(21-12)17-7-9-4-5-10(15)6-11(9)16/h4-6,18H,7-8H2,1-3H3,(H,17,20)
InChIKeyVRLSOPQGUKZQKW-UHFFFAOYSA-N
XLogP2.85
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72893335
1-(3,4-difluorobenzyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
CID 72908302
5-tert-butyl-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75446178
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
N1-(4-fluorobenzyl)-N2-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)oxalamide
CID 45584812
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97149374
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 141195043
4-[[(5-Amino-1,3,4-oxadiazol-2-yl)methylamino]methyl]-3-fluorobenzonitrile
CID 164905324
2-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 51223664
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53546878
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(4-fluorobenzyl)piperidin-3-amine
CID 72876035
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72909336

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106960385) is 5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(NCc2ccc(F)cc2F)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VRLSOPQGUKZQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-14(2,3)18-8-12-19-20-13(21-12)17-7-9-4-5-10(15)6-11(9)16/h4-6,18H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 296.32 g/mol, XLogP of 2.85, 5 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-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).