N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide

C27H29FN6O5 — CID 11620791

IUPACN-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide
SMILESCOc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)o3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C27H29FN6O5/c1-36-23-14-21-22(15-24(23)38-9-3-6-34-7-10-37-11-8-34)30-17-31-26(21)33-27-29-16-20(39-27)13-25(35)32-19-5-2-4-18(28)12-19/h2,4-5,12,14-17H,3,6-11,13H2,1H3,(H,32,35)(H,29,30,31,33)
InChIKeyLTAXYBWNTNCTIU-UHFFFAOYSA-N
MW536.56 g/mol
LogP3.79
Rot. Bonds11

About N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide

N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide (PubChem CID 11620791) has the molecular formula C27H29FN6O5 and a molecular weight of 536.56 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide
PubChem CID11620791
Molecular FormulaC27H29FN6O5
Molecular Weight536.56 g/mol
Exact Mass536.22
IUPAC NameN-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide
SMILESCOc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)o3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C27H29FN6O5/c1-36-23-14-21-22(15-24(23)38-9-3-6-34-7-10-37-11-8-34)30-17-31-26(21)33-27-29-16-20(39-27)13-25(35)32-19-5-2-4-18(28)12-19/h2,4-5,12,14-17H,3,6-11,13H2,1H3,(H,32,35)(H,29,30,31,33)
InChIKeyLTAXYBWNTNCTIU-UHFFFAOYSA-N
XLogP3.79
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide 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 N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide (CID 11620791) is N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide is COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)o3)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide?
The InChIKey is LTAXYBWNTNCTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O5/c1-36-23-14-21-22(15-24(23)38-9-3-6-34-7-10-37-11-8-34)30-17-31-26(21)33-27-29-16-20(39-27)13-25(35)32-19-5-2-4-18(28)12-19/h2,4-5,12,14-17H,3,6-11,13H2,1H3,(H,32,35)(H,29,30,31,33).
What are the key properties of N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide?
N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide has a molecular weight of 536.56 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-oxazol-5-yl]acetamide is sourced from PubChem (CID 11620791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).