N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine

C18H20N2O — CID 43110726

IUPACN-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCCc1ccc(C(C)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C18H20N2O/c1-4-14-5-7-15(8-6-14)12(2)19-16-9-10-18-17(11-16)20-13(3)21-18/h5-12,19H,4H2,1-3H3
InChIKeyPXEFDIWYBGMZNY-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.87
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine

N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine (PubChem CID 43110726) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
PubChem CID43110726
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCCc1ccc(C(C)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C18H20N2O/c1-4-14-5-7-15(8-6-14)12(2)19-16-9-10-18-17(11-16)20-13(3)21-18/h5-12,19H,4H2,1-3H3
InChIKeyPXEFDIWYBGMZNY-UHFFFAOYSA-N
XLogP4.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43769785
2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene
CID 170641256
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 107167672
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 115917264
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 82964735
2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
CID 54866667
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60732152
N-methyl-4-[1-[(2-methyl-1,3-benzoxazol-6-yl)amino]ethyl]benzenesulfonamide
CID 86782704
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
CID 115212658

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine (CID 43110726) is N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine is CCc1ccc(C(C)Nc2ccc3oc(C)nc3c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine?
The InChIKey is PXEFDIWYBGMZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-14-5-7-15(8-6-14)12(2)19-16-9-10-18-17(11-16)20-13(3)21-18/h5-12,19H,4H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine?
N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43110726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).