1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine

C7H11ClN2O — CID 82653619

IUPAC1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine
SMILESCCc1noc(Cl)c1C(C)N
InChIInChI=1S/C7H11ClN2O/c1-3-5-6(4(2)9)7(8)11-10-5/h4H,3,9H2,1-2H3
InChIKeyPYTMGSZTQHNOBF-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.91
Rot. Bonds2

About 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine

1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 82653619) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine
PubChem CID82653619
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine
SMILESCCc1noc(Cl)c1C(C)N
InChIInChI=1S/C7H11ClN2O/c1-3-5-6(4(2)9)7(8)11-10-5/h4H,3,9H2,1-2H3
InChIKeyPYTMGSZTQHNOBF-UHFFFAOYSA-N
XLogP1.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethyl]cyclopropan-1-amine
CID 105468182
1-(2,3,4,5,6-pentachlorophenyl)ethanamine
CID 14507644
1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
CID 82428207
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
1-(6-ethyl-5-methylpyrimidin-4-yl)ethanamine
CID 82414481
(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride
CID 127263741
4-chloro-3-ethyl-1,2-oxazole-5-carboxylic acid
CID 84655400
(1S)-1-[4-ethyl-5-(methoxymethyl)-1,3-oxazol-2-yl]ethanamine
CID 82406624
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548765
1-(3-ethylpyrazin-2-yl)ethanamine
CID 171372703
1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine
CID 82416563
5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806455

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine (CID 82653619) is 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine is CCc1noc(Cl)c1C(C)N.
What is the InChIKey of 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is PYTMGSZTQHNOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-3-5-6(4(2)9)7(8)11-10-5/h4H,3,9H2,1-2H3.
What are the key properties of 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine?
1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 174.63 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 82653619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).