5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C14H14ClFN2O4S — CID 169414199

IUPAC5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCOCc1nc2c(o1)CCN(S(=O)(=O)c1ccc(F)cc1Cl)C2
InChIInChI=1S/C14H14ClFN2O4S/c1-21-8-14-17-11-7-18(5-4-12(11)22-14)23(19,20)13-3-2-9(16)6-10(13)15/h2-3,6H,4-5,7-8H2,1H3
InChIKeyRJMJCWQENHTFFD-UHFFFAOYSA-N
MW360.79 g/mol
LogP2.36
Rot. Bonds4

About 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 169414199) has the molecular formula C14H14ClFN2O4S and a molecular weight of 360.79 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID169414199
Molecular FormulaC14H14ClFN2O4S
Molecular Weight360.79 g/mol
Exact Mass360.03
IUPAC Name5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCOCc1nc2c(o1)CCN(S(=O)(=O)c1ccc(F)cc1Cl)C2
InChIInChI=1S/C14H14ClFN2O4S/c1-21-8-14-17-11-7-18(5-4-12(11)22-14)23(19,20)13-3-2-9(16)6-10(13)15/h2-3,6H,4-5,7-8H2,1H3
InChIKeyRJMJCWQENHTFFD-UHFFFAOYSA-N
XLogP2.36
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-difluorophenyl)sulfonyl-2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169417013
2-tert-butyl-5-(2,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 170510610
2-tert-butyl-5-(5-chloro-2-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169420041
4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
CID 66083632
2-(3-chlorophenoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 169413425
1-[(4-tert-butylphenyl)methyl]-4-(2-chloro-4-fluorophenyl)sulfonylpiperazine
CID 3766519
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
CID 146144239
(2S)-2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 97308806
5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169415039
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 169414199) is 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is COCc1nc2c(o1)CCN(S(=O)(=O)c1ccc(F)cc1Cl)C2.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is RJMJCWQENHTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O4S/c1-21-8-14-17-11-7-18(5-4-12(11)22-14)23(19,20)13-3-2-9(16)6-10(13)15/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 360.79 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169414199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).