[2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate

C19H24N5O6P — CID 138720836

IUPAC[2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate
SMILESNC1C(c2cc(Cc3ccc(N4CCOCC4)nc3)no2)=CC=CN1COP(=O)(O)O
InChIInChI=1S/C19H24N5O6P/c20-19-16(2-1-5-24(19)13-29-31(25,26)27)17-11-15(22-30-17)10-14-3-4-18(21-12-14)23-6-8-28-9-7-23/h1-5,11-12,19H,6-10,13,20H2,(H2,25,26,27)
InChIKeyAURJENCDUZSWIU-UHFFFAOYSA-N
MW449.40 g/mol
LogP1.06
Rot. Bonds7

About [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate

[2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate (PubChem CID 138720836) has the molecular formula C19H24N5O6P and a molecular weight of 449.40 g/mol. Its IUPAC name is [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate
PubChem CID138720836
Molecular FormulaC19H24N5O6P
Molecular Weight449.40 g/mol
Exact Mass449.15
IUPAC Name[2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate
SMILESNC1C(c2cc(Cc3ccc(N4CCOCC4)nc3)no2)=CC=CN1COP(=O)(O)O
InChIInChI=1S/C19H24N5O6P/c20-19-16(2-1-5-24(19)13-29-31(25,26)27)17-11-15(22-30-17)10-14-3-4-18(21-12-14)23-6-8-28-9-7-23/h1-5,11-12,19H,6-10,13,20H2,(H2,25,26,27)
InChIKeyAURJENCDUZSWIU-UHFFFAOYSA-N
XLogP1.06
TPSA147.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate?
The IUPAC name of [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate (CID 138720836) is [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate?
The canonical SMILES for [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate is NC1C(c2cc(Cc3ccc(N4CCOCC4)nc3)no2)=CC=CN1COP(=O)(O)O.
What is the InChIKey of [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate?
The InChIKey is AURJENCDUZSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N5O6P/c20-19-16(2-1-5-24(19)13-29-31(25,26)27)17-11-15(22-30-17)10-14-3-4-18(21-12-14)23-6-8-28-9-7-23/h1-5,11-12,19H,6-10,13,20H2,(H2,25,26,27).
What are the key properties of [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate?
[2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate has a molecular weight of 449.40 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 138720836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).