(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine

C16H19N5O — CID 95279669

IUPAC(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](Cn1cccn1)N[C@H](C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H19N5O/c1-12(11-21-10-6-9-17-21)18-13(2)15-19-20-16(22-15)14-7-4-3-5-8-14/h3-10,12-13,18H,11H2,1-2H3/t12-,13+/m0/s1
InChIKeyTZCXVTAFEBBOPB-QWHCGFSZSA-N
MW297.36 g/mol
LogP2.67
Rot. Bonds6

About (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine

(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95279669) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID95279669
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](Cn1cccn1)N[C@H](C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H19N5O/c1-12(11-21-10-6-9-17-21)18-13(2)15-19-20-16(22-15)14-7-4-3-5-8-14/h3-10,12-13,18H,11H2,1-2H3/t12-,13+/m0/s1
InChIKeyTZCXVTAFEBBOPB-QWHCGFSZSA-N
XLogP2.67
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 94362537
(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 94015415
N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine
CID 43749288
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
N-[1-(2-nitrophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 43749316
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200
2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148
2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 118528215
2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 134032568
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 82774489
(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95351926

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine (CID 95279669) is (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine is C[C@@H](Cn1cccn1)N[C@H](C)c1nnc(-c2ccccc2)o1.
What is the InChIKey of (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is TZCXVTAFEBBOPB-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(11-21-10-6-9-17-21)18-13(2)15-19-20-16(22-15)14-7-4-3-5-8-14/h3-10,12-13,18H,11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 297.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95279669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).