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

C15H21FN4O — CID 106960172

IUPAC5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C15H21FN4O/c1-15(2,3)17-9-13-18-19-14(21-13)20(4)10-11-5-7-12(16)8-6-11/h5-8,17H,9-10H2,1-4H3
InChIKeyRLPUNXCBRZTIPT-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.73
Rot. Bonds5

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

5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106960172) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106960172
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C15H21FN4O/c1-15(2,3)17-9-13-18-19-14(21-13)20(4)10-11-5-7-12(16)8-6-11/h5-8,17H,9-10H2,1-4H3
InChIKeyRLPUNXCBRZTIPT-UHFFFAOYSA-N
XLogP2.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959317
5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969217
N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106959491
N-[(2-bromophenyl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970749
N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 137341409
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361
5-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970975
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753296
N-[(4-chlorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959809
N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966869
5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
CID 106967540
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959812

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106960172) is 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is CN(Cc1ccc(F)cc1)c1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is RLPUNXCBRZTIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-15(2,3)17-9-13-18-19-14(21-13)20(4)10-11-5-7-12(16)8-6-11/h5-8,17H,9-10H2,1-4H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 292.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).