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

C13H18N2O2 — CID 79236746

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCc1noc(C)c1C(C)NC(C)c1ccco1
InChIInChI=1S/C13H18N2O2/c1-8(12-6-5-7-16-12)14-9(2)13-10(3)15-17-11(13)4/h5-9,14H,1-4H3
InChIKeyMCVJCJGBYSPTQK-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.30
Rot. Bonds4

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 79236746) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID79236746
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCc1noc(C)c1C(C)NC(C)c1ccco1
InChIInChI=1S/C13H18N2O2/c1-8(12-6-5-7-16-12)14-9(2)13-10(3)15-17-11(13)4/h5-9,14H,1-4H3
InChIKeyMCVJCJGBYSPTQK-UHFFFAOYSA-N
XLogP3.30
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43776788
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 79236229
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 79231064
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111174196
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 79236329
1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]ethanamine
CID 79145036
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine (CID 79236746) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine is Cc1noc(C)c1C(C)NC(C)c1ccco1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is MCVJCJGBYSPTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(12-6-5-7-16-12)14-9(2)13-10(3)15-17-11(13)4/h5-9,14H,1-4H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 234.30 g/mol, XLogP of 3.30, 4 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-(furan-2-yl)ethanamine is sourced from PubChem (CID 79236746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).