1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea

C27H28F3N7O2 — CID 24735919

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea
SMILESCc1noc(C)c1NC(=O)NCCN1CCN(c2ncc(-c3ccccc3)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C27H28F3N7O2/c1-17-23(18(2)39-35-17)34-26(38)31-10-11-36-12-14-37(15-13-36)25-20-8-9-22(27(28,29)30)33-24(20)21(16-32-25)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H2,31,34,38)
InChIKeyWNESNUHQANELCG-UHFFFAOYSA-N
MW539.56 g/mol
LogP4.86
Rot. Bonds6

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea (PubChem CID 24735919) has the molecular formula C27H28F3N7O2 and a molecular weight of 539.56 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea
PubChem CID24735919
Molecular FormulaC27H28F3N7O2
Molecular Weight539.56 g/mol
Exact Mass539.23
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea
SMILESCc1noc(C)c1NC(=O)NCCN1CCN(c2ncc(-c3ccccc3)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C27H28F3N7O2/c1-17-23(18(2)39-35-17)34-26(38)31-10-11-36-12-14-37(15-13-36)25-20-8-9-22(27(28,29)30)33-24(20)21(16-32-25)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H2,31,34,38)
InChIKeyWNESNUHQANELCG-UHFFFAOYSA-N
XLogP4.86
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.56
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea 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 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea (CID 24735919) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea is Cc1noc(C)c1NC(=O)NCCN1CCN(c2ncc(-c3ccccc3)c3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea?
The InChIKey is WNESNUHQANELCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O2/c1-17-23(18(2)39-35-17)34-26(38)31-10-11-36-12-14-37(15-13-36)25-20-8-9-22(27(28,29)30)33-24(20)21(16-32-25)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H2,31,34,38).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea has a molecular weight of 539.56 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea is sourced from PubChem (CID 24735919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).