N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide

C14H17N3O3S — CID 119938369

IUPACN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide
SMILESCn1c(=O)oc2cc(NC(=O)CC3CSCCN3)ccc21
InChIInChI=1S/C14H17N3O3S/c1-17-11-3-2-9(6-12(11)20-14(17)19)16-13(18)7-10-8-21-5-4-15-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyKSOREEKZDNIDPQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.17
Rot. Bonds3

About N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119938369) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119938369
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide
SMILESCn1c(=O)oc2cc(NC(=O)CC3CSCCN3)ccc21
InChIInChI=1S/C14H17N3O3S/c1-17-11-3-2-9(6-12(11)20-14(17)19)16-13(18)7-10-8-21-5-4-15-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyKSOREEKZDNIDPQ-UHFFFAOYSA-N
XLogP1.17
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide (CID 119938369) is N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide is Cn1c(=O)oc2cc(NC(=O)CC3CSCCN3)ccc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is KSOREEKZDNIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17-11-3-2-9(6-12(11)20-14(17)19)16-13(18)7-10-8-21-5-4-15-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide?
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 307.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).