(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone

C16H24N2O3 — CID 3237193

IUPAC(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone
SMILESCC(C)(C)C1CCc2onc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)11-4-5-13-12(10-11)14(17-21-13)15(19)18-6-8-20-9-7-18/h11H,4-10H2,1-3H3
InChIKeyIDIKVWIULDMOTB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.30
Rot. Bonds1

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

(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 3237193) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone
PubChem CID3237193
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone
SMILESCC(C)(C)C1CCc2onc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)11-4-5-13-12(10-11)14(17-21-13)15(19)18-6-8-20-9-7-18/h11H,4-10H2,1-3H3
InChIKeyIDIKVWIULDMOTB-UHFFFAOYSA-N
XLogP2.30
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone (CID 3237193) is (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone is CC(C)(C)C1CCc2onc(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is IDIKVWIULDMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)11-4-5-13-12(10-11)14(17-21-13)15(19)18-6-8-20-9-7-18/h11H,4-10H2,1-3H3.
What are the key properties of (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone?
(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 292.38 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 3237193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).