(2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine

C15H19N6OP — CID 71141038

IUPAC(2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine
SMILESC[C@@](N)(CP)c1nnc(Cc2n[nH]c(Cc3ccccc3)n2)o1
InChIInChI=1S/C15H19N6OP/c1-15(16,9-23)14-21-20-13(22-14)8-12-17-11(18-19-12)7-10-5-3-2-4-6-10/h2-6H,7-9,16,23H2,1H3,(H,17,18,19)/t15-/m1/s1
InChIKeyCPHWQXRXMBNNCG-OAHLLOKOSA-N
MW330.33 g/mol
LogP1.42
Rot. Bonds6

About (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine

(2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine (PubChem CID 71141038) has the molecular formula C15H19N6OP and a molecular weight of 330.33 g/mol. Its IUPAC name is (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine.

Molecular Properties

Compound Name(2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine
PubChem CID71141038
Molecular FormulaC15H19N6OP
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name(2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine
SMILESC[C@@](N)(CP)c1nnc(Cc2n[nH]c(Cc3ccccc3)n2)o1
InChIInChI=1S/C15H19N6OP/c1-15(16,9-23)14-21-20-13(22-14)8-12-17-11(18-19-12)7-10-5-3-2-4-6-10/h2-6H,7-9,16,23H2,1H3,(H,17,18,19)/t15-/m1/s1
InChIKeyCPHWQXRXMBNNCG-OAHLLOKOSA-N
XLogP1.42
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine?
The IUPAC name of (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine (CID 71141038) is (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine.
What is the SMILES notation for (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine?
The canonical SMILES for (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine is C[C@@](N)(CP)c1nnc(Cc2n[nH]c(Cc3ccccc3)n2)o1.
What is the InChIKey of (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine?
The InChIKey is CPHWQXRXMBNNCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N6OP/c1-15(16,9-23)14-21-20-13(22-14)8-12-17-11(18-19-12)7-10-5-3-2-4-6-10/h2-6H,7-9,16,23H2,1H3,(H,17,18,19)/t15-/m1/s1.
What are the key properties of (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine?
(2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine has a molecular weight of 330.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[(5-benzyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-phosphanylpropan-2-amine is sourced from PubChem (CID 71141038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).