1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea

C23H18FN7O2S — CID 59268806

IUPAC1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ncc(CCNc2ncnc3oc(-c4ccccc4)nc23)s1
InChIInChI=1S/C23H18FN7O2S/c24-15-7-4-8-16(11-15)29-22(32)31-23-26-12-17(34-23)9-10-25-19-18-21(28-13-27-19)33-20(30-18)14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,25,27,28)(H2,26,29,31,32)
InChIKeyDJKYCVHTTYBYKZ-UHFFFAOYSA-N
MW475.51 g/mol
LogP5.18
Rot. Bonds7

About 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea

1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea (PubChem CID 59268806) has the molecular formula C23H18FN7O2S and a molecular weight of 475.51 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
PubChem CID59268806
Molecular FormulaC23H18FN7O2S
Molecular Weight475.51 g/mol
Exact Mass475.12
IUPAC Name1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ncc(CCNc2ncnc3oc(-c4ccccc4)nc23)s1
InChIInChI=1S/C23H18FN7O2S/c24-15-7-4-8-16(11-15)29-22(32)31-23-26-12-17(34-23)9-10-25-19-18-21(28-13-27-19)33-20(30-18)14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,25,27,28)(H2,26,29,31,32)
InChIKeyDJKYCVHTTYBYKZ-UHFFFAOYSA-N
XLogP5.18
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]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-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea (CID 59268806) is 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea is O=C(Nc1cccc(F)c1)Nc1ncc(CCNc2ncnc3oc(-c4ccccc4)nc23)s1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is DJKYCVHTTYBYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2S/c24-15-7-4-8-16(11-15)29-22(32)31-23-26-12-17(34-23)9-10-25-19-18-21(28-13-27-19)33-20(30-18)14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,25,27,28)(H2,26,29,31,32).
What are the key properties of 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea?
1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 475.51 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 59268806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).