1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea

C25H16F3N5O3 — CID 24811071

IUPAC1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea
SMILESO=C(Nc1ccc(Oc2ncnc3ccccc23)cc1)Nc1ncc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C25H16F3N5O3/c26-25(27,28)16-7-5-15(6-8-16)21-13-29-24(36-21)33-23(34)32-17-9-11-18(12-10-17)35-22-19-3-1-2-4-20(19)30-14-31-22/h1-14H,(H2,29,32,33,34)
InChIKeyZNYOUKDQDZQCPM-UHFFFAOYSA-N
MW491.43 g/mol
LogP6.74
Rot. Bonds5

About 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea

1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea (PubChem CID 24811071) has the molecular formula C25H16F3N5O3 and a molecular weight of 491.43 g/mol. Its IUPAC name is 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea
PubChem CID24811071
Molecular FormulaC25H16F3N5O3
Molecular Weight491.43 g/mol
Exact Mass491.12
IUPAC Name1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea
SMILESO=C(Nc1ccc(Oc2ncnc3ccccc23)cc1)Nc1ncc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C25H16F3N5O3/c26-25(27,28)16-7-5-15(6-8-16)21-13-29-24(36-21)33-23(34)32-17-9-11-18(12-10-17)35-22-19-3-1-2-4-20(19)30-14-31-22/h1-14H,(H2,29,32,33,34)
InChIKeyZNYOUKDQDZQCPM-UHFFFAOYSA-N
XLogP6.74
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.43
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-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

Related Compounds

1-(5-pyridin-3-yl-1,3-oxazol-2-yl)-3-(4-quinazolin-4-yloxyphenyl)urea
CID 143654279
4-quinazolin-4-yloxybenzoic acid
CID 61395638
N-methyl-4-quinazolin-4-yloxyaniline
CID 61027989
3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide
CID 24661832
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
1-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 11305537
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
CID 155206361
1-[3-methyl-4-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 144557783
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155195529
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-[7-(3-methoxypropoxy)quinazolin-4-yl]oxyphenyl]urea
CID 57329083
1-[2-chloro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 164900961

Frequently Asked Questions

What is the IUPAC name of 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea?
The IUPAC name of 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea (CID 24811071) is 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea.
What is the SMILES notation for 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea?
The canonical SMILES for 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea is O=C(Nc1ccc(Oc2ncnc3ccccc23)cc1)Nc1ncc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea?
The InChIKey is ZNYOUKDQDZQCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N5O3/c26-25(27,28)16-7-5-15(6-8-16)21-13-29-24(36-21)33-23(34)32-17-9-11-18(12-10-17)35-22-19-3-1-2-4-20(19)30-14-31-22/h1-14H,(H2,29,32,33,34).
What are the key properties of 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea?
1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea has a molecular weight of 491.43 g/mol, XLogP of 6.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinazolin-4-yloxyphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]urea is sourced from PubChem (CID 24811071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).