(2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

C16H18FN5O2 — CID 95277767

IUPAC(2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1nc(COc2ccc(F)cc2)no1
InChIInChI=1S/C16H18FN5O2/c1-12(10-22-8-2-7-19-22)18-9-16-20-15(21-24-16)11-23-14-5-3-13(17)4-6-14/h2-8,12,18H,9-11H2,1H3/t12-/m0/s1
InChIKeyUANHOTIDFGSCSX-LBPRGKRZSA-N
MW331.35 g/mol
LogP2.16
Rot. Bonds8

About (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

(2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95277767) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID95277767
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name(2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1nc(COc2ccc(F)cc2)no1
InChIInChI=1S/C16H18FN5O2/c1-12(10-22-8-2-7-19-22)18-9-16-20-15(21-24-16)11-23-14-5-3-13(17)4-6-14/h2-8,12,18H,9-11H2,1H3/t12-/m0/s1
InChIKeyUANHOTIDFGSCSX-LBPRGKRZSA-N
XLogP2.16
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277768
(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277787
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
(2R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95282283
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 56722162
(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95158981
(2S)-2-amino-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120842810
1-[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanol
CID 111113774
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
N-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 42929568
5-(azepan-1-ylmethyl)-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86916726
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (CID 95277767) is (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is C[C@@H](Cn1cccn1)NCc1nc(COc2ccc(F)cc2)no1.
What is the InChIKey of (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is UANHOTIDFGSCSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-12(10-22-8-2-7-19-22)18-9-16-20-15(21-24-16)11-23-14-5-3-13(17)4-6-14/h2-8,12,18H,9-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
(2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 331.35 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95277767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).