3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine

C16H22N4O2S — CID 155876049

IUPAC3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
SMILESc1csc(CNC2CCc3onc(CN4CCOCC4)c3C2)n1
InChIInChI=1S/C16H22N4O2S/c1-2-15-13(9-12(1)18-10-16-17-3-8-23-16)14(19-22-15)11-20-4-6-21-7-5-20/h3,8,12,18H,1-2,4-7,9-11H2
InChIKeyWZNYITAYCCCJMY-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.61
Rot. Bonds5

About 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine

3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine (PubChem CID 155876049) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
PubChem CID155876049
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
SMILESc1csc(CNC2CCc3onc(CN4CCOCC4)c3C2)n1
InChIInChI=1S/C16H22N4O2S/c1-2-15-13(9-12(1)18-10-16-17-3-8-23-16)14(19-22-15)11-20-4-6-21-7-5-20/h3,8,12,18H,1-2,4-7,9-11H2
InChIKeyWZNYITAYCCCJMY-UHFFFAOYSA-N
XLogP1.61
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine (CID 155876049) is 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine is c1csc(CNC2CCc3onc(CN4CCOCC4)c3C2)n1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine?
The InChIKey is WZNYITAYCCCJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-15-13(9-12(1)18-10-16-17-3-8-23-16)14(19-22-15)11-20-4-6-21-7-5-20/h3,8,12,18H,1-2,4-7,9-11H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine?
3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine has a molecular weight of 334.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine is sourced from PubChem (CID 155876049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).