(2-chloro-1,3-oxazol-4-yl)methanol;ethane

C6H10ClNO2 — CID 143299929

IUPAC(2-chloro-1,3-oxazol-4-yl)methanol;ethane
SMILESCC.OCc1coc(Cl)n1
InChIInChI=1S/C4H4ClNO2.C2H6/c5-4-6-3(1-7)2-8-4;1-2/h2,7H,1H2;1-2H3
InChIKeyQDIJANSCVYAPEL-UHFFFAOYSA-N
MW163.60 g/mol
LogP1.85
Rot. Bonds1

About (2-chloro-1,3-oxazol-4-yl)methanol;ethane

(2-chloro-1,3-oxazol-4-yl)methanol;ethane (PubChem CID 143299929) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (2-chloro-1,3-oxazol-4-yl)methanol;ethane.

Molecular Properties

Compound Name(2-chloro-1,3-oxazol-4-yl)methanol;ethane
PubChem CID143299929
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(2-chloro-1,3-oxazol-4-yl)methanol;ethane
SMILESCC.OCc1coc(Cl)n1
InChIInChI=1S/C4H4ClNO2.C2H6/c5-4-6-3(1-7)2-8-4;1-2/h2,7H,1H2;1-2H3
InChIKeyQDIJANSCVYAPEL-UHFFFAOYSA-N
XLogP1.85
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride
CID 122236264
2-chloro-4-(methoxymethyl)-1,3-oxazole
CID 143299986
2-(2-chloro-1,3-oxazol-4-yl)ethanesulfonic acid
CID 164851669
2-chloro-4-methyl-1,3-oxazole;hydrochloride
CID 139022515
[2-(2-methylphenyl)-1,3-oxazol-4-yl]methanol
CID 55255073
[2-[(2S)-4-aminobutan-2-yl]-1,3-oxazol-4-yl]methanol
CID 10975920
[2-[(E)-2-pyridin-4-ylethenyl]-1,3-oxazol-4-yl]methanol
CID 142575704
3-amino-3-(2-chloro-1,3-oxazol-4-yl)propan-1-ol
CID 84655795
[2-(furan-2-yl)-1,3-oxazol-4-yl]methanol
CID 115083510
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3-oxazol-4-yl]methanol
CID 113427161
2-chloro-4-iodo-1,3-oxazole
CID 144649329
2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol
CID 102636138

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-oxazol-4-yl)methanol;ethane?
The IUPAC name of (2-chloro-1,3-oxazol-4-yl)methanol;ethane (CID 143299929) is (2-chloro-1,3-oxazol-4-yl)methanol;ethane.
What is the SMILES notation for (2-chloro-1,3-oxazol-4-yl)methanol;ethane?
The canonical SMILES for (2-chloro-1,3-oxazol-4-yl)methanol;ethane is CC.OCc1coc(Cl)n1.
What is the InChIKey of (2-chloro-1,3-oxazol-4-yl)methanol;ethane?
The InChIKey is QDIJANSCVYAPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO2.C2H6/c5-4-6-3(1-7)2-8-4;1-2/h2,7H,1H2;1-2H3.
What are the key properties of (2-chloro-1,3-oxazol-4-yl)methanol;ethane?
(2-chloro-1,3-oxazol-4-yl)methanol;ethane has a molecular weight of 163.60 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-oxazol-4-yl)methanol;ethane is sourced from PubChem (CID 143299929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).