1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine

C17H20FN5O2 — CID 145466890

IUPAC1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine
SMILESC=C/C(=N\CCC)c1coc(-c2ncc(F)c(N3CCOCC3)n2)n1
InChIInChI=1S/C17H20FN5O2/c1-3-5-19-13(4-2)14-11-25-17(21-14)15-20-10-12(18)16(22-15)23-6-8-24-9-7-23/h4,10-11H,2-3,5-9H2,1H3/b19-13+
InChIKeyBYXAOCMEGKBGQL-CPNJWEJPSA-N
MW345.38 g/mol
LogP2.49
Rot. Bonds6

About 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine

1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine (PubChem CID 145466890) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine.

Molecular Properties

Compound Name1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine
PubChem CID145466890
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine
SMILESC=C/C(=N\CCC)c1coc(-c2ncc(F)c(N3CCOCC3)n2)n1
InChIInChI=1S/C17H20FN5O2/c1-3-5-19-13(4-2)14-11-25-17(21-14)15-20-10-12(18)16(22-15)23-6-8-24-9-7-23/h4,10-11H,2-3,5-9H2,1H3/b19-13+
InChIKeyBYXAOCMEGKBGQL-CPNJWEJPSA-N
XLogP2.49
TPSA76.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol
CID 137335375
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CID 50950437
5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine
CID 143470922
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
1-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135684617
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
CID 126433720
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952
5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide
CID 130197461
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
CID 143431084
(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol
CID 134254858
N-[(2-butoxynaphthalen-1-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 3797340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine?
The IUPAC name of 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine (CID 145466890) is 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine.
What is the SMILES notation for 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine?
The canonical SMILES for 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine is C=C/C(=N\CCC)c1coc(-c2ncc(F)c(N3CCOCC3)n2)n1.
What is the InChIKey of 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine?
The InChIKey is BYXAOCMEGKBGQL-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-3-5-19-13(4-2)14-11-25-17(21-14)15-20-10-12(18)16(22-15)23-6-8-24-9-7-23/h4,10-11H,2-3,5-9H2,1H3/b19-13+.
What are the key properties of 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine?
1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine has a molecular weight of 345.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine is sourced from PubChem (CID 145466890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).