4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine

C22H24FN5O — CID 143219694

IUPAC4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine
SMILESC=C1OC=CN1/C(=C(\C)c1ccc(F)cc1)c1ccnc(NC2CCCNC2)n1
InChIInChI=1S/C22H24FN5O/c1-15(17-5-7-18(23)8-6-17)21(28-12-13-29-16(28)2)20-9-11-25-22(27-20)26-19-4-3-10-24-14-19/h5-9,11-13,19,24H,2-4,10,14H2,1H3,(H,25,26,27)/b21-15+
InChIKeyATXFOZXBJWXWDN-RCCKNPSSSA-N
MW393.47 g/mol
LogP3.94
Rot. Bonds5

About 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine

4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine (PubChem CID 143219694) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine
PubChem CID143219694
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine
SMILESC=C1OC=CN1/C(=C(\C)c1ccc(F)cc1)c1ccnc(NC2CCCNC2)n1
InChIInChI=1S/C22H24FN5O/c1-15(17-5-7-18(23)8-6-17)21(28-12-13-29-16(28)2)20-9-11-25-22(27-20)26-19-4-3-10-24-14-19/h5-9,11-13,19,24H,2-4,10,14H2,1H3,(H,25,26,27)/b21-15+
InChIKeyATXFOZXBJWXWDN-RCCKNPSSSA-N
XLogP3.94
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146989000
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
CID 175699091
2,2,2-trifluoro-N-[3-fluoro-4-[(E)-1-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]oxyphenyl]ethanesulfinamide
CID 176963581
2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 71643313
4-[(E)-2-[4-(2-methyl-1,3-oxazol-4-yl)naphthalen-1-yl]oxy-1-prop-1-en-2-ylsulfanylprop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine
CID 176963622
N-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 62814853
5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71014823
N-[2-fluoro-5-methyl-4-[(E)-3-methyl-1-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-1-prop-1-en-2-ylsulfanylpent-1-en-2-yl]oxyphenyl]propane-2-sulfinamide
CID 176963619
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine (CID 143219694) is 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine is C=C1OC=CN1/C(=C(\C)c1ccc(F)cc1)c1ccnc(NC2CCCNC2)n1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is ATXFOZXBJWXWDN-RCCKNPSSSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-15(17-5-7-18(23)8-6-17)21(28-12-13-29-16(28)2)20-9-11-25-22(27-20)26-19-4-3-10-24-14-19/h5-9,11-13,19,24H,2-4,10,14H2,1H3,(H,25,26,27)/b21-15+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine?
4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 393.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)-1-(2-methylidene-1,3-oxazol-3-yl)prop-1-enyl]-N-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 143219694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).