5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole

C10H10ClNO2S — CID 134390210

IUPAC5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COCc2ccc(Cl)s2)on1
InChIInChI=1S/C10H10ClNO2S/c1-7-4-8(14-12-7)5-13-6-9-2-3-10(11)15-9/h2-4H,5-6H2,1H3
InChIKeyFBCDPSUHIACXIS-UHFFFAOYSA-N
MW243.72 g/mol
LogP3.41
Rot. Bonds4

About 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole

5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole (PubChem CID 134390210) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole
PubChem CID134390210
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC Name5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(COCc2ccc(Cl)s2)on1
InChIInChI=1S/C10H10ClNO2S/c1-7-4-8(14-12-7)5-13-6-9-2-3-10(11)15-9/h2-4H,5-6H2,1H3
InChIKeyFBCDPSUHIACXIS-UHFFFAOYSA-N
XLogP3.41
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole (CID 134390210) is 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole is Cc1cc(COCc2ccc(Cl)s2)on1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole?
The InChIKey is FBCDPSUHIACXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c1-7-4-8(14-12-7)5-13-6-9-2-3-10(11)15-9/h2-4H,5-6H2,1H3.
What are the key properties of 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole?
5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole has a molecular weight of 243.72 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methoxymethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 134390210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).