[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C17H17N3O4S — CID 42513170

IUPAC[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc2cc(OCc3cc(C(=O)N4CCOCC4)no3)ccc2s1
InChIInChI=1S/C17H17N3O4S/c1-11-18-14-8-12(2-3-16(14)25-11)23-10-13-9-15(19-24-13)17(21)20-4-6-22-7-5-20/h2-3,8-9H,4-7,10H2,1H3
InChIKeyXNNBAYWCXKSXOR-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.64
Rot. Bonds4

About [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 42513170) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID42513170
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc2cc(OCc3cc(C(=O)N4CCOCC4)no3)ccc2s1
InChIInChI=1S/C17H17N3O4S/c1-11-18-14-8-12(2-3-16(14)25-11)23-10-13-9-15(19-24-13)17(21)20-4-6-22-7-5-20/h2-3,8-9H,4-7,10H2,1H3
InChIKeyXNNBAYWCXKSXOR-UHFFFAOYSA-N
XLogP2.64
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 42513170) is [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is Cc1nc2cc(OCc3cc(C(=O)N4CCOCC4)no3)ccc2s1.
What is the InChIKey of [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XNNBAYWCXKSXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-11-18-14-8-12(2-3-16(14)25-11)23-10-13-9-15(19-24-13)17(21)20-4-6-22-7-5-20/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 359.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42513170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).