ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole

C12H16N2O — CID 143675921

IUPACethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
SMILESCC.CCc1cc(-c2cccnc2)no1
InChIInChI=1S/C10H10N2O.C2H6/c1-2-9-6-10(12-13-9)8-4-3-5-11-7-8;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyXJSCYXAAHJYTMG-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.33
Rot. Bonds2

About ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole

ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole (PubChem CID 143675921) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Nameethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
PubChem CID143675921
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Nameethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
SMILESCC.CCc1cc(-c2cccnc2)no1
InChIInChI=1S/C10H10N2O.C2H6/c1-2-9-6-10(12-13-9)8-4-3-5-11-7-8;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyXJSCYXAAHJYTMG-UHFFFAOYSA-N
XLogP3.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-hexyl-3-pyridin-3-yl-1,2-oxazole
CID 134695050
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
CID 53398877
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 70724833
5-(5-ethyl-1,2-oxazol-3-yl)pyridin-2-amine
CID 58399246
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanol
CID 44605540
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 131944626
(3S)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
CID 124752821
(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
CID 124752820
3-ethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine
CID 134232737
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91776197

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole?
The IUPAC name of ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole (CID 143675921) is ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole is CC.CCc1cc(-c2cccnc2)no1.
What is the InChIKey of ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole?
The InChIKey is XJSCYXAAHJYTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C2H6/c1-2-9-6-10(12-13-9)8-4-3-5-11-7-8;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole?
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 204.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 143675921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).