3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine

C13H16N2O — CID 82078778

IUPAC3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESCCc1ccc(CCc2cc(N)on2)cc1
InChIInChI=1S/C13H16N2O/c1-2-10-3-5-11(6-4-10)7-8-12-9-13(14)16-15-12/h3-6,9H,2,7-8,14H2,1H3
InChIKeyDGIVNZUOUPBFSV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.60
Rot. Bonds4

About 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine

3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine (PubChem CID 82078778) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine
PubChem CID82078778
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESCCc1ccc(CCc2cc(N)on2)cc1
InChIInChI=1S/C13H16N2O/c1-2-10-3-5-11(6-4-10)7-8-12-9-13(14)16-15-12/h3-6,9H,2,7-8,14H2,1H3
InChIKeyDGIVNZUOUPBFSV-UHFFFAOYSA-N
XLogP2.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1,2-oxazol-5-amine
CID 2104061
3-ethyl-1,2-oxazol-5-amine
CID 10866295
3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
CID 82080374
3-octyl-1,2-oxazol-5-amine
CID 65427877
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
3-(3-aminopropyl)-1,2-oxazol-5-amine
CID 83845440
3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine
CID 82075946
1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine
CID 114420254
3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine
CID 170138401
5-tert-butyl-3-[2-(4-iodophenyl)ethyl]-1,2-oxazole
CID 143052923
1-ethyl-4-[3-(4-ethylphenyl)propyl]benzene;methanamine
CID 91443625
3-(cyclopropylmethyl)-1,2-oxazol-5-amine
CID 54776320

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine (CID 82078778) is 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine is CCc1ccc(CCc2cc(N)on2)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is DGIVNZUOUPBFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-10-3-5-11(6-4-10)7-8-12-9-13(14)16-15-12/h3-6,9H,2,7-8,14H2,1H3.
What are the key properties of 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine?
3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine has a molecular weight of 216.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 82078778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).