4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine

C34H34N4O4 — CID 70693043

IUPAC4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine
SMILESc1cc(-c2cnc(-c3ccc(CN4CCOCC4)cc3)o2)cc(-c2cnc(-c3ccc(CN4CCOCC4)cc3)o2)c1
InChIInChI=1S/C34H34N4O4/c1-2-29(31-21-35-33(41-31)27-8-4-25(5-9-27)23-37-12-16-39-17-13-37)20-30(3-1)32-22-36-34(42-32)28-10-6-26(7-11-28)24-38-14-18-40-19-15-38/h1-11,20-22H,12-19,23-24H2
InChIKeyDQEFPCQHRNYWNU-UHFFFAOYSA-N
MW562.67 g/mol
LogP5.99
Rot. Bonds8

About 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine

4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine (PubChem CID 70693043) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine
PubChem CID70693043
Molecular FormulaC34H34N4O4
Molecular Weight562.67 g/mol
Exact Mass562.26
IUPAC Name4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine
SMILESc1cc(-c2cnc(-c3ccc(CN4CCOCC4)cc3)o2)cc(-c2cnc(-c3ccc(CN4CCOCC4)cc3)o2)c1
InChIInChI=1S/C34H34N4O4/c1-2-29(31-21-35-33(41-31)27-8-4-25(5-9-27)23-37-12-16-39-17-13-37)20-30(3-1)32-22-36-34(42-32)28-10-6-26(7-11-28)24-38-14-18-40-19-15-38/h1-11,20-22H,12-19,23-24H2
InChIKeyDQEFPCQHRNYWNU-UHFFFAOYSA-N
XLogP5.99
TPSA77.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine (CID 70693043) is 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine is c1cc(-c2cnc(-c3ccc(CN4CCOCC4)cc3)o2)cc(-c2cnc(-c3ccc(CN4CCOCC4)cc3)o2)c1.
What is the InChIKey of 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine?
The InChIKey is DQEFPCQHRNYWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O4/c1-2-29(31-21-35-33(41-31)27-8-4-25(5-9-27)23-37-12-16-39-17-13-37)20-30(3-1)32-22-36-34(42-32)28-10-6-26(7-11-28)24-38-14-18-40-19-15-38/h1-11,20-22H,12-19,23-24H2.
What are the key properties of 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine?
4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine has a molecular weight of 562.67 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-[3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 70693043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).