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

C26H21FN6O2 — CID 59268672

IUPAC1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea
SMILESO=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)nc23)cc1)Nc1cccc(F)c1
InChIInChI=1S/C26H21FN6O2/c27-19-7-4-8-21(15-19)32-26(34)31-20-11-9-17(10-12-20)13-14-28-23-22-25(30-16-29-23)35-24(33-22)18-5-2-1-3-6-18/h1-12,15-16H,13-14H2,(H,28,29,30)(H2,31,32,34)
InChIKeyVOYOALBZLRCPDB-UHFFFAOYSA-N
MW468.49 g/mol
LogP5.72
Rot. Bonds7

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

1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea (PubChem CID 59268672) has the molecular formula C26H21FN6O2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea
PubChem CID59268672
Molecular FormulaC26H21FN6O2
Molecular Weight468.49 g/mol
Exact Mass468.17
IUPAC Name1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea
SMILESO=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)nc23)cc1)Nc1cccc(F)c1
InChIInChI=1S/C26H21FN6O2/c27-19-7-4-8-21(15-19)32-26(34)31-20-11-9-17(10-12-20)13-14-28-23-22-25(30-16-29-23)35-24(33-22)18-5-2-1-3-6-18/h1-12,15-16H,13-14H2,(H,28,29,30)(H2,31,32,34)
InChIKeyVOYOALBZLRCPDB-UHFFFAOYSA-N
XLogP5.72
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.49
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea
CID 91147673
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CID 146792793
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
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CID 109192413
1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea
CID 59268814
N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
N-(3-fluorophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235989
1-[4-[2-[[7-[2-(dimethylamino)ethoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
CID 59268658
2-(3-fluorophenyl)-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 50835517
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-[[4-[5-(4-hydroxyphenyl)-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]furo[2,3-d]pyrimidin-6-yl]phenoxy]methyl]morpholin-4-yl]phenyl]urea
CID 143887502

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea (CID 59268672) is 1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea is O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)nc23)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea?
The InChIKey is VOYOALBZLRCPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O2/c27-19-7-4-8-21(15-19)32-26(34)31-20-11-9-17(10-12-20)13-14-28-23-22-25(30-16-29-23)35-24(33-22)18-5-2-1-3-6-18/h1-12,15-16H,13-14H2,(H,28,29,30)(H2,31,32,34).
What are the key properties of 1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea?
1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea has a molecular weight of 468.49 g/mol, XLogP of 5.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 59268672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).