[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

C16H18ClN3O3S — CID 154581086

IUPAC[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(c2nc3ccc(Cl)cc3o2)CCO1)N1CCSCC1
InChIInChI=1S/C16H18ClN3O3S/c17-11-1-2-12-13(9-11)23-16(18-12)20-3-6-22-14(10-20)15(21)19-4-7-24-8-5-19/h1-2,9,14H,3-8,10H2
InChIKeyQWGZPQOBQQZNDF-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.26
Rot. Bonds2

About [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 154581086) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID154581086
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(c2nc3ccc(Cl)cc3o2)CCO1)N1CCSCC1
InChIInChI=1S/C16H18ClN3O3S/c17-11-1-2-12-13(9-11)23-16(18-12)20-3-6-22-14(10-20)15(21)19-4-7-24-8-5-19/h1-2,9,14H,3-8,10H2
InChIKeyQWGZPQOBQQZNDF-UHFFFAOYSA-N
XLogP2.26
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 154581086) is [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is O=C(C1CN(c2nc3ccc(Cl)cc3o2)CCO1)N1CCSCC1.
What is the InChIKey of [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is QWGZPQOBQQZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-11-1-2-12-13(9-11)23-16(18-12)20-3-6-22-14(10-20)15(21)19-4-7-24-8-5-19/h1-2,9,14H,3-8,10H2.
What are the key properties of [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 367.86 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 154581086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).