2-chloro-4-(methoxymethyl)-1,3-oxazole

C5H6ClNO2 — CID 143299986

IUPAC2-chloro-4-(methoxymethyl)-1,3-oxazole
SMILESCOCc1coc(Cl)n1
InChIInChI=1S/C5H6ClNO2/c1-8-2-4-3-9-5(6)7-4/h3H,2H2,1H3
InChIKeySIQPPJYRKDUHIU-UHFFFAOYSA-N
MW147.56 g/mol
LogP1.47
Rot. Bonds2

About 2-chloro-4-(methoxymethyl)-1,3-oxazole

2-chloro-4-(methoxymethyl)-1,3-oxazole (PubChem CID 143299986) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is 2-chloro-4-(methoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-(methoxymethyl)-1,3-oxazole
PubChem CID143299986
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC Name2-chloro-4-(methoxymethyl)-1,3-oxazole
SMILESCOCc1coc(Cl)n1
InChIInChI=1S/C5H6ClNO2/c1-8-2-4-3-9-5(6)7-4/h3H,2H2,1H3
InChIKeySIQPPJYRKDUHIU-UHFFFAOYSA-N
XLogP1.47
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-1,3-oxazol-4-yl)methanol;ethane
CID 143299929
(2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride
CID 122236264
4-(methoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole
CID 11041632
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
5-chloro-3-(methoxymethyl)-1,2-oxazole
CID 130537915
2-(2-chloro-1,3-oxazol-4-yl)ethanesulfonic acid
CID 164851669
2-(4-chlorophenyl)-4-(methoxymethyl)-1,3-selenazole
CID 10779604
2-chloro-4-iodo-1,3-oxazole
CID 144649329
3-amino-5-[4-(methoxymethyl)-1,3-oxazol-2-yl]-6-methylpyrazine-2-carboxylic acid
CID 121351018
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921
2-(3-chloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511905
2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512046

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methoxymethyl)-1,3-oxazole?
The IUPAC name of 2-chloro-4-(methoxymethyl)-1,3-oxazole (CID 143299986) is 2-chloro-4-(methoxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-(methoxymethyl)-1,3-oxazole?
The canonical SMILES for 2-chloro-4-(methoxymethyl)-1,3-oxazole is COCc1coc(Cl)n1.
What is the InChIKey of 2-chloro-4-(methoxymethyl)-1,3-oxazole?
The InChIKey is SIQPPJYRKDUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO2/c1-8-2-4-3-9-5(6)7-4/h3H,2H2,1H3.
What are the key properties of 2-chloro-4-(methoxymethyl)-1,3-oxazole?
2-chloro-4-(methoxymethyl)-1,3-oxazole has a molecular weight of 147.56 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methoxymethyl)-1,3-oxazole is sourced from PubChem (CID 143299986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).