4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C20H27N5O — CID 67501439

IUPAC4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(CC)c1cnc(Nc2ccc(CCC3COC(N)=N3)cc2)nc1
InChIInChI=1S/C20H27N5O/c1-3-15(4-2)16-11-22-20(23-12-16)25-17-8-5-14(6-9-17)7-10-18-13-26-19(21)24-18/h5-6,8-9,11-12,15,18H,3-4,7,10,13H2,1-2H3,(H2,21,24)(H,22,23,25)
InChIKeyGIDJTLHYVDKSLR-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.77
Rot. Bonds8

About 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67501439) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67501439
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(CC)c1cnc(Nc2ccc(CCC3COC(N)=N3)cc2)nc1
InChIInChI=1S/C20H27N5O/c1-3-15(4-2)16-11-22-20(23-12-16)25-17-8-5-14(6-9-17)7-10-18-13-26-19(21)24-18/h5-6,8-9,11-12,15,18H,3-4,7,10,13H2,1-2H3,(H2,21,24)(H,22,23,25)
InChIKeyGIDJTLHYVDKSLR-UHFFFAOYSA-N
XLogP3.77
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67501439) is 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is CCC(CC)c1cnc(Nc2ccc(CCC3COC(N)=N3)cc2)nc1.
What is the InChIKey of 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is GIDJTLHYVDKSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-15(4-2)16-11-22-20(23-12-16)25-17-8-5-14(6-9-17)7-10-18-13-26-19(21)24-18/h5-6,8-9,11-12,15,18H,3-4,7,10,13H2,1-2H3,(H2,21,24)(H,22,23,25).
What are the key properties of 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 353.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(5-pentan-3-ylpyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67501439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).