5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole

C21H32N2O2 — CID 177445212

IUPAC5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(CCN3CCOCC3)nc2c1
InChIInChI=1S/C21H32N2O2/c1-20(2,3)15-13-16(21(4,5)6)19-17(14-15)22-18(25-19)7-8-23-9-11-24-12-10-23/h13-14H,7-12H2,1-6H3
InChIKeyFZFXKXGLPMDYQT-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.30
Rot. Bonds3

About 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole

5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole (PubChem CID 177445212) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole
PubChem CID177445212
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(CCN3CCOCC3)nc2c1
InChIInChI=1S/C21H32N2O2/c1-20(2,3)15-13-16(21(4,5)6)19-17(14-15)22-18(25-19)7-8-23-9-11-24-12-10-23/h13-14H,7-12H2,1-6H3
InChIKeyFZFXKXGLPMDYQT-UHFFFAOYSA-N
XLogP4.30
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5,7-ditert-butyl-1,3-benzoxazol-2-yl)methanol
CID 139136989
4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine
CID 138657131
5,7-ditert-butyl-2-chloro-1,3-benzoxazole
CID 63488344
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456979
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515189
1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]ethanamine
CID 115084712
2-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-5-yl]propan-1-ol
CID 115087511
2-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carbaldehyde
CID 115084695
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine
CID 86686713
5-methyl-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 43661563

Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole?
The IUPAC name of 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole (CID 177445212) is 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole is CC(C)(C)c1cc(C(C)(C)C)c2oc(CCN3CCOCC3)nc2c1.
What is the InChIKey of 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole?
The InChIKey is FZFXKXGLPMDYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-20(2,3)15-13-16(21(4,5)6)19-17(14-15)22-18(25-19)7-8-23-9-11-24-12-10-23/h13-14H,7-12H2,1-6H3.
What are the key properties of 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole?
5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole has a molecular weight of 344.50 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 177445212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).