5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine

C18H20N4O4S — CID 57393069

IUPAC5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine
SMILESCCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1
InChIInChI=1S/C18H20N4O4S/c1-2-27(23,24)14-4-5-16-15(11-14)21-18(26-16)20-13-3-6-17(19-12-13)22-7-9-25-10-8-22/h3-6,11-12H,2,7-10H2,1H3,(H,20,21)
InChIKeyQDACXVFLMYEEMN-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.60
Rot. Bonds5

About 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine

5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine (PubChem CID 57393069) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine
PubChem CID57393069
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine
SMILESCCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1
InChIInChI=1S/C18H20N4O4S/c1-2-27(23,24)14-4-5-16-15(11-14)21-18(26-16)20-13-3-6-17(19-12-13)22-7-9-25-10-8-22/h3-6,11-12H,2,7-10H2,1H3,(H,20,21)
InChIKeyQDACXVFLMYEEMN-UHFFFAOYSA-N
XLogP2.60
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine (CID 57393069) is 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine is CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1.
What is the InChIKey of 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine?
The InChIKey is QDACXVFLMYEEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-2-27(23,24)14-4-5-16-15(11-14)21-18(26-16)20-13-3-6-17(19-12-13)22-7-9-25-10-8-22/h3-6,11-12H,2,7-10H2,1H3,(H,20,21).
What are the key properties of 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine?
5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine has a molecular weight of 388.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 57393069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).