N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine

C18H26N2O — CID 79231064

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NC(C)c2c(C)noc2C)c(C)c1
InChIInChI=1S/C18H26N2O/c1-10-8-11(2)17(12(3)9-10)13(4)19-14(5)18-15(6)20-21-16(18)7/h8-9,13-14,19H,1-7H3
InChIKeyHJYUNNNCKFMOJS-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.63
Rot. Bonds4

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 79231064) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID79231064
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NC(C)c2c(C)noc2C)c(C)c1
InChIInChI=1S/C18H26N2O/c1-10-8-11(2)17(12(3)9-10)13(4)19-14(5)18-15(6)20-21-16(18)7/h8-9,13-14,19H,1-7H3
InChIKeyHJYUNNNCKFMOJS-UHFFFAOYSA-N
XLogP4.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 79231064) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NC(C)c2c(C)noc2C)c(C)c1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is HJYUNNNCKFMOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-10-8-11(2)17(12(3)9-10)13(4)19-14(5)18-15(6)20-21-16(18)7/h8-9,13-14,19H,1-7H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 286.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 79231064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).