[(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone

C14H16N2O4S — CID 95933178

IUPAC[(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2ccc3[nH]c(=S)oc3c2)CCO1
InChIInChI=1S/C14H16N2O4S/c1-18-8-10-7-16(4-5-19-10)13(17)9-2-3-11-12(6-9)20-14(21)15-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,21)/t10-/m1/s1
InChIKeyJPMNWOYRSHDHLV-SNVBAGLBSA-N
MW308.36 g/mol
LogP1.98
Rot. Bonds3

About [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone

[(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone (PubChem CID 95933178) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
PubChem CID95933178
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name[(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2ccc3[nH]c(=S)oc3c2)CCO1
InChIInChI=1S/C14H16N2O4S/c1-18-8-10-7-16(4-5-19-10)13(17)9-2-3-11-12(6-9)20-14(21)15-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,21)/t10-/m1/s1
InChIKeyJPMNWOYRSHDHLV-SNVBAGLBSA-N
XLogP1.98
TPSA67.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone (CID 95933178) is [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone is COC[C@H]1CN(C(=O)c2ccc3[nH]c(=S)oc3c2)CCO1.
What is the InChIKey of [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
The InChIKey is JPMNWOYRSHDHLV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-18-8-10-7-16(4-5-19-10)13(17)9-2-3-11-12(6-9)20-14(21)15-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,21)/t10-/m1/s1.
What are the key properties of [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone?
[(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone has a molecular weight of 308.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methoxymethyl)morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 95933178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).