morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C12H16N2O3 — CID 3236189

IUPACmorpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C12H16N2O3/c15-12(14-5-7-16-8-6-14)11-9-3-1-2-4-10(9)17-13-11/h1-8H2
InChIKeyNOTYSNQGTYQHNG-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.03
Rot. Bonds1

About morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 3236189) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID3236189
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemorpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C12H16N2O3/c15-12(14-5-7-16-8-6-14)11-9-3-1-2-4-10(9)17-13-11/h1-8H2
InChIKeyNOTYSNQGTYQHNG-UHFFFAOYSA-N
XLogP1.03
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 3236189) is morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is O=C(c1noc2c1CCCC2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is NOTYSNQGTYQHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(14-5-7-16-8-6-14)11-9-3-1-2-4-10(9)17-13-11/h1-8H2.
What are the key properties of morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 3236189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).