3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C38H41N3O9 — CID 91081155

IUPAC3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc2c(c1)CNC(c1ccc(OCCCOc3cc(-c4cc(-c5cc(OC)c(OC)c(OC)c5)on4)ccc3OC)c(OC)c1)N2
InChIInChI=1S/C38H41N3O9/c1-42-27-10-11-28-26(16-27)22-39-38(40-28)24-9-13-31(33(18-24)44-3)48-14-7-15-49-34-17-23(8-12-30(34)43-2)29-21-32(50-41-29)25-19-35(45-4)37(47-6)36(20-25)46-5/h8-13,16-21,38-40H,7,14-15,22H2,1-6H3
InChIKeyJOMTVSNKMGBDCX-UHFFFAOYSA-N
MW683.76 g/mol
LogP7.12
Rot. Bonds15

About 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole

3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 91081155) has the molecular formula C38H41N3O9 and a molecular weight of 683.76 g/mol. Its IUPAC name is 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID91081155
Molecular FormulaC38H41N3O9
Molecular Weight683.76 g/mol
Exact Mass683.28
IUPAC Name3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc2c(c1)CNC(c1ccc(OCCCOc3cc(-c4cc(-c5cc(OC)c(OC)c(OC)c5)on4)ccc3OC)c(OC)c1)N2
InChIInChI=1S/C38H41N3O9/c1-42-27-10-11-28-26(16-27)22-39-38(40-28)24-9-13-31(33(18-24)44-3)48-14-7-15-49-34-17-23(8-12-30(34)43-2)29-21-32(50-41-29)25-19-35(45-4)37(47-6)36(20-25)46-5/h8-13,16-21,38-40H,7,14-15,22H2,1-6H3
InChIKeyJOMTVSNKMGBDCX-UHFFFAOYSA-N
XLogP7.12
TPSA123.93 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500683.76
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole 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 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 91081155) is 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1ccc2c(c1)CNC(c1ccc(OCCCOc3cc(-c4cc(-c5cc(OC)c(OC)c(OC)c5)on4)ccc3OC)c(OC)c1)N2.
What is the InChIKey of 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is JOMTVSNKMGBDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N3O9/c1-42-27-10-11-28-26(16-27)22-39-38(40-28)24-9-13-31(33(18-24)44-3)48-14-7-15-49-34-17-23(8-12-30(34)43-2)29-21-32(50-41-29)25-19-35(45-4)37(47-6)36(20-25)46-5/h8-13,16-21,38-40H,7,14-15,22H2,1-6H3.
What are the key properties of 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 683.76 g/mol, XLogP of 7.12, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-[3-[2-methoxy-4-(6-methoxy-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy]propoxy]phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 91081155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).