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

C15H21FN4O — CID 106960173

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H21FN4O/c1-11(2)8-17-9-14-18-19-15(21-14)20(3)10-12-4-6-13(16)7-5-12/h4-7,11,17H,8-10H2,1-3H3
InChIKeyVHENMWBFBDFQSV-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.59
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960173) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960173
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H21FN4O/c1-11(2)8-17-9-14-18-19-15(21-14)20(3)10-12-4-6-13(16)7-5-12/h4-7,11,17H,8-10H2,1-3H3
InChIKeyVHENMWBFBDFQSV-UHFFFAOYSA-N
XLogP2.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106960173) is N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is CC(C)CNCc1nnc(N(C)Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VHENMWBFBDFQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-11(2)8-17-9-14-18-19-15(21-14)20(3)10-12-4-6-13(16)7-5-12/h4-7,11,17H,8-10H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 292.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).