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

C15H16ClN5O — CID 99600899

IUPAC(2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)N[C@@H](c1ccc(Cl)cc1)c1ncon1
InChIInChI=1S/C15H16ClN5O/c1-11(9-21-8-2-7-18-21)19-14(15-17-10-22-20-15)12-3-5-13(16)6-4-12/h2-8,10-11,14,19H,9H2,1H3/t11-,14+/m1/s1
InChIKeyVUSOHKCMSIPOLE-RISCZKNCSA-N
MW317.78 g/mol
LogP2.69
Rot. Bonds6

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

(2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 99600899) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is (2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID99600899
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name(2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)N[C@@H](c1ccc(Cl)cc1)c1ncon1
InChIInChI=1S/C15H16ClN5O/c1-11(9-21-8-2-7-18-21)19-14(15-17-10-22-20-15)12-3-5-13(16)6-4-12/h2-8,10-11,14,19H,9H2,1H3/t11-,14+/m1/s1
InChIKeyVUSOHKCMSIPOLE-RISCZKNCSA-N
XLogP2.69
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 99600899) is (2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is C[C@H](Cn1cccn1)N[C@@H](c1ccc(Cl)cc1)c1ncon1.
What is the InChIKey of (2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is VUSOHKCMSIPOLE-RISCZKNCSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-11(9-21-8-2-7-18-21)19-14(15-17-10-22-20-15)12-3-5-13(16)6-4-12/h2-8,10-11,14,19H,9H2,1H3/t11-,14+/m1/s1.
What are the key properties of (2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
(2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 317.78 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 99600899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).