5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole

C20H23NO3 — CID 53418546

IUPAC5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole
SMILESCOc1ccc(OC)c(Cc2nc3cc(C(C)(C)C)ccc3o2)c1
InChIInChI=1S/C20H23NO3/c1-20(2,3)14-6-8-18-16(12-14)21-19(24-18)11-13-10-15(22-4)7-9-17(13)23-5/h6-10,12H,11H2,1-5H3
InChIKeyZOXPGHPOTVEWEV-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.73
Rot. Bonds4

About 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole

5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole (PubChem CID 53418546) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole
PubChem CID53418546
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole
SMILESCOc1ccc(OC)c(Cc2nc3cc(C(C)(C)C)ccc3o2)c1
InChIInChI=1S/C20H23NO3/c1-20(2,3)14-6-8-18-16(12-14)21-19(24-18)11-13-10-15(22-4)7-9-17(13)23-5/h6-10,12H,11H2,1-5H3
InChIKeyZOXPGHPOTVEWEV-UHFFFAOYSA-N
XLogP4.73
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468006
1-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 43554598
N-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
CID 54924309
5-tert-butyl-2-[(3-methylphenyl)methyl]-1,3-benzoxazole
CID 53418563
2-(5-tert-butyl-1,3-benzoxazol-2-yl)acetonitrile;ethane
CID 145140669
2-(isocyanomethyl)-5-methoxy-1,3-benzoxazole
CID 83483455
N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 34980983
5-tert-butyl-2-[(3-nitrophenyl)methyl]-1,3-benzoxazole
CID 53418564
2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-5-carbaldehyde
CID 82160122
N-[2-(5-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696947
3-(5-tert-butyl-1,3-benzoxazol-2-yl)propanoic acid
CID 43554566
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole?
The IUPAC name of 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole (CID 53418546) is 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole?
The canonical SMILES for 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole is COc1ccc(OC)c(Cc2nc3cc(C(C)(C)C)ccc3o2)c1.
What is the InChIKey of 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole?
The InChIKey is ZOXPGHPOTVEWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)14-6-8-18-16(12-14)21-19(24-18)11-13-10-15(22-4)7-9-17(13)23-5/h6-10,12H,11H2,1-5H3.
What are the key properties of 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole?
5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole has a molecular weight of 325.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 53418546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).