[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone

C16H17ClN2O4S — CID 24791332

IUPAC[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1ccc(OCc2cc(C(=O)N3CCSCC3)no2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O4S/c1-21-11-2-3-15(13(17)8-11)22-10-12-9-14(18-23-12)16(20)19-4-6-24-7-5-19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyMZQCHINRRUZZGY-UHFFFAOYSA-N
MW368.84 g/mol
LogP3.10
Rot. Bonds5

About [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone

[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 24791332) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID24791332
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1ccc(OCc2cc(C(=O)N3CCSCC3)no2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O4S/c1-21-11-2-3-15(13(17)8-11)22-10-12-9-14(18-23-12)16(20)19-4-6-24-7-5-19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyMZQCHINRRUZZGY-UHFFFAOYSA-N
XLogP3.10
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone (CID 24791332) is [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone is COc1ccc(OCc2cc(C(=O)N3CCSCC3)no2)c(Cl)c1.
What is the InChIKey of [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is MZQCHINRRUZZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-21-11-2-3-15(13(17)8-11)22-10-12-9-14(18-23-12)16(20)19-4-6-24-7-5-19/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone?
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 368.84 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 24791332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).