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

C16H19N5O — CID 95351926

IUPAC(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@@H](NCc1nnc(-c2ccccc2)o1)[C@H](C)n1cccn1
InChIInChI=1S/C16H19N5O/c1-12(13(2)21-10-6-9-18-21)17-11-15-19-20-16(22-15)14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyAGVOGZCMXOBQBF-OLZOCXBDSA-N
MW297.36 g/mol
LogP2.67
Rot. Bonds6

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

(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95351926) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95351926
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@@H](NCc1nnc(-c2ccccc2)o1)[C@H](C)n1cccn1
InChIInChI=1S/C16H19N5O/c1-12(13(2)21-10-6-9-18-21)17-11-15-19-20-16(22-15)14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3/t12-,13+/m1/s1
InChIKeyAGVOGZCMXOBQBF-OLZOCXBDSA-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

(2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759596
(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 94362537
(2S,3R)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95347651
(2R,3S)-N-[(5-chlorofuran-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276291
(2S,3R)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351937
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600
(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 95131861
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 94160198
4-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-amine
CID 18870599
(2R,3S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759561
(2S,3R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95613864
(2S,3R)-N-[(E)-3-phenylprop-2-enyl]-3-pyrazol-1-ylbutan-2-amine
CID 95280050

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95351926) is (2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is C[C@@H](NCc1nnc(-c2ccccc2)o1)[C@H](C)n1cccn1.
What is the InChIKey of (2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is AGVOGZCMXOBQBF-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(13(2)21-10-6-9-18-21)17-11-15-19-20-16(22-15)14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-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 (2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95351926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).