1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine

C17H25N5O2 — CID 131900857

IUPAC1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
SMILESCC(C)Cc1cc(CNCc2cnc(N3CCOCC3)nc2)on1
InChIInChI=1S/C17H25N5O2/c1-13(2)7-15-8-16(24-21-15)12-18-9-14-10-19-17(20-11-14)22-3-5-23-6-4-22/h8,10-11,13,18H,3-7,9,12H2,1-2H3
InChIKeyBHOBGYGVRYURPP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.79
Rot. Bonds7

About 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine

1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine (PubChem CID 131900857) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
PubChem CID131900857
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
SMILESCC(C)Cc1cc(CNCc2cnc(N3CCOCC3)nc2)on1
InChIInChI=1S/C17H25N5O2/c1-13(2)7-15-8-16(24-21-15)12-18-9-14-10-19-17(20-11-14)22-3-5-23-6-4-22/h8,10-11,13,18H,3-7,9,12H2,1-2H3
InChIKeyBHOBGYGVRYURPP-UHFFFAOYSA-N
XLogP1.79
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine (CID 131900857) is 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine is CC(C)Cc1cc(CNCc2cnc(N3CCOCC3)nc2)on1.
What is the InChIKey of 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is BHOBGYGVRYURPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13(2)7-15-8-16(24-21-15)12-18-9-14-10-19-17(20-11-14)22-3-5-23-6-4-22/h8,10-11,13,18H,3-7,9,12H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 331.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 131900857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).