2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane

C19H23NO — CID 142549567

IUPAC2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane
SMILESC.Cc1ccc(C(C)Cc2nc3ccccc3o2)c(C)c1
InChIInChI=1S/C18H19NO.CH4/c1-12-8-9-15(13(2)10-12)14(3)11-18-19-16-6-4-5-7-17(16)20-18;/h4-10,14H,11H2,1-3H3;1H4
InChIKeyFSJJPRQVVQQBAY-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.43
Rot. Bonds3

About 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane

2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane (PubChem CID 142549567) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane
PubChem CID142549567
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane
SMILESC.Cc1ccc(C(C)Cc2nc3ccccc3o2)c(C)c1
InChIInChI=1S/C18H19NO.CH4/c1-12-8-9-15(13(2)10-12)14(3)11-18-19-16-6-4-5-7-17(16)20-18;/h4-10,14H,11H2,1-3H3;1H4
InChIKeyFSJJPRQVVQQBAY-UHFFFAOYSA-N
XLogP5.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-2-(2,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461340
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
2-[2-bromo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461842
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol
CID 66460868
(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol
CID 146169064
2-[2-chloro-2-(3-methylphenyl)ethyl]-1,3-benzoxazole
CID 66459118
2-[2-chloro-2-(3,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66460334
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanamine
CID 64650155
2-(1,3-benzoxazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43118536
2-[2-bromo-2-(2,5-dimethylfuran-3-yl)ethyl]-1,3-benzoxazole
CID 66460227
2-[2-chloro-2-(5-fluoro-2-methylphenyl)ethyl]-1,3-benzoxazole
CID 66459737

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane (CID 142549567) is 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane is C.Cc1ccc(C(C)Cc2nc3ccccc3o2)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane?
The InChIKey is FSJJPRQVVQQBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.CH4/c1-12-8-9-15(13(2)10-12)14(3)11-18-19-16-6-4-5-7-17(16)20-18;/h4-10,14H,11H2,1-3H3;1H4.
What are the key properties of 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane?
2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane has a molecular weight of 281.40 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane is sourced from PubChem (CID 142549567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).