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

C16H22N2O2 — CID 79236329

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NC(C)c2c(C)noc2C)cc1
InChIInChI=1S/C16H22N2O2/c1-10(14-6-8-15(19-5)9-7-14)17-11(2)16-12(3)18-20-13(16)4/h6-11,17H,1-5H3
InChIKeyDFCJBGSSUYSLDN-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.71
Rot. Bonds5

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 79236329) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID79236329
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NC(C)c2c(C)noc2C)cc1
InChIInChI=1S/C16H22N2O2/c1-10(14-6-8-15(19-5)9-7-14)17-11(2)16-12(3)18-20-13(16)4/h6-11,17H,1-5H3
InChIKeyDFCJBGSSUYSLDN-UHFFFAOYSA-N
XLogP3.71
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 79236229
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
4-[(1S)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 99719075
1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]ethanamine
CID 79145036
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115720129
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 79231064
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 79236746
1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea
CID 97232042
1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
CID 79040582
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine
CID 114228241
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine (CID 79236329) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NC(C)c2c(C)noc2C)cc1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is DFCJBGSSUYSLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(14-6-8-15(19-5)9-7-14)17-11(2)16-12(3)18-20-13(16)4/h6-11,17H,1-5H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 274.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 79236329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).