7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

C27H29N3O5 — CID 46880738

IUPAC7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C27H29N3O5/c1-31-23-15-20(16-24(32-2)26(23)33-3)28-27-29-22-6-4-5-21(25(22)35-27)19-9-7-18(8-10-19)17-30-11-13-34-14-12-30/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,29)
InChIKeyOTGRWCKXTPMAJC-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.10
Rot. Bonds8

About 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 46880738) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID46880738
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C27H29N3O5/c1-31-23-15-20(16-24(32-2)26(23)33-3)28-27-29-22-6-4-5-21(25(22)35-27)19-9-7-18(8-10-19)17-30-11-13-34-14-12-30/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,29)
InChIKeyOTGRWCKXTPMAJC-UHFFFAOYSA-N
XLogP5.10
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine 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 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (CID 46880738) is 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is COc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC.
What is the InChIKey of 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is OTGRWCKXTPMAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-31-23-15-20(16-24(32-2)26(23)33-3)28-27-29-22-6-4-5-21(25(22)35-27)19-9-7-18(8-10-19)17-30-11-13-34-14-12-30/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,29).
What are the key properties of 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 475.55 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(morpholin-4-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 46880738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).