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

C15H17N5O — CID 94362537

IUPAC(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H17N5O/c1-12(11-20-9-5-8-17-20)16-10-14-18-19-15(21-14)13-6-3-2-4-7-13/h2-9,12,16H,10-11H2,1H3/t12-/m1/s1
InChIKeyCRQQCGQWXPRBNU-GFCCVEGCSA-N
MW283.33 g/mol
LogP2.11
Rot. Bonds6

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

(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 94362537) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID94362537
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H17N5O/c1-12(11-20-9-5-8-17-20)16-10-14-18-19-15(21-14)13-6-3-2-4-7-13/h2-9,12,16H,10-11H2,1H3/t12-/m1/s1
InChIKeyCRQQCGQWXPRBNU-GFCCVEGCSA-N
XLogP2.11
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95351926
(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279669
(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
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 55032692
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 56722162
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 94362537) is (2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is C[C@H](Cn1cccn1)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is CRQQCGQWXPRBNU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N5O/c1-12(11-20-9-5-8-17-20)16-10-14-18-19-15(21-14)13-6-3-2-4-7-13/h2-9,12,16H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 94362537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).