N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine

C14H22FN5O — CID 153384030

IUPACN-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine
SMILESCC1NC(c2ccc(CNC3CNCCN3)c(F)c2)NO1
InChIInChI=1S/C14H22FN5O/c1-9-19-14(20-21-9)10-2-3-11(12(15)6-10)7-18-13-8-16-4-5-17-13/h2-3,6,9,13-14,16-20H,4-5,7-8H2,1H3
InChIKeyRZQSITJTELUHOC-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.10
Rot. Bonds4

About N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine

N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine (PubChem CID 153384030) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine
PubChem CID153384030
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC NameN-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine
SMILESCC1NC(c2ccc(CNC3CNCCN3)c(F)c2)NO1
InChIInChI=1S/C14H22FN5O/c1-9-19-14(20-21-9)10-2-3-11(12(15)6-10)7-18-13-8-16-4-5-17-13/h2-3,6,9,13-14,16-20H,4-5,7-8H2,1H3
InChIKeyRZQSITJTELUHOC-UHFFFAOYSA-N
XLogP-0.10
TPSA69.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine?
The IUPAC name of N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine (CID 153384030) is N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine.
What is the SMILES notation for N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine?
The canonical SMILES for N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine is CC1NC(c2ccc(CNC3CNCCN3)c(F)c2)NO1.
What is the InChIKey of N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine?
The InChIKey is RZQSITJTELUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O/c1-9-19-14(20-21-9)10-2-3-11(12(15)6-10)7-18-13-8-16-4-5-17-13/h2-3,6,9,13-14,16-20H,4-5,7-8H2,1H3.
What are the key properties of N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine?
N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine has a molecular weight of 295.36 g/mol, XLogP of -0.10, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine is sourced from PubChem (CID 153384030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).