3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine

C21H21FN4O — CID 70081115

IUPAC3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine
SMILESFc1cc(CCc2cc(NC3=NCCCN3)on2)ccc1-c1ccccc1
InChIInChI=1S/C21H21FN4O/c22-19-13-15(8-10-18(19)16-5-2-1-3-6-16)7-9-17-14-20(27-26-17)25-21-23-11-4-12-24-21/h1-3,5-6,8,10,13-14H,4,7,9,11-12H2,(H2,23,24,25)
InChIKeyFQMFRDWBAUMSDC-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.03
Rot. Bonds5

About 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine

3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine (PubChem CID 70081115) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine
PubChem CID70081115
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine
SMILESFc1cc(CCc2cc(NC3=NCCCN3)on2)ccc1-c1ccccc1
InChIInChI=1S/C21H21FN4O/c22-19-13-15(8-10-18(19)16-5-2-1-3-6-16)7-9-17-14-20(27-26-17)25-21-23-11-4-12-24-21/h1-3,5-6,8,10,13-14H,4,7,9,11-12H2,(H2,23,24,25)
InChIKeyFQMFRDWBAUMSDC-UHFFFAOYSA-N
XLogP4.03
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-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 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine (CID 70081115) is 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine is Fc1cc(CCc2cc(NC3=NCCCN3)on2)ccc1-c1ccccc1.
What is the InChIKey of 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine?
The InChIKey is FQMFRDWBAUMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-19-13-15(8-10-18(19)16-5-2-1-3-6-16)7-9-17-14-20(27-26-17)25-21-23-11-4-12-24-21/h1-3,5-6,8,10,13-14H,4,7,9,11-12H2,(H2,23,24,25).
What are the key properties of 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine?
3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine has a molecular weight of 364.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-phenylphenyl)ethyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 70081115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).