(5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C17H24N4O4 — CID 128992090

IUPAC(5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)c3cc(C(C)(C)C)on3)CCO2)o1
InChIInChI=1S/C17H24N4O4/c1-10(2)14-18-19-15(24-14)12-9-21(6-7-23-12)16(22)11-8-13(25-20-11)17(3,4)5/h8,10,12H,6-7,9H2,1-5H3
InChIKeyQGMMRQQOJIUCAG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.69
Rot. Bonds3

About (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

(5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 128992090) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID128992090
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)c3cc(C(C)(C)C)on3)CCO2)o1
InChIInChI=1S/C17H24N4O4/c1-10(2)14-18-19-15(24-14)12-9-21(6-7-23-12)16(22)11-8-13(25-20-11)17(3,4)5/h8,10,12H,6-7,9H2,1-5H3
InChIKeyQGMMRQQOJIUCAG-UHFFFAOYSA-N
XLogP2.69
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-ethyl-1H-pyrazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128998494
[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-quinolin-2-ylmethanone
CID 128969841
indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128971284
(5-ethyl-3-methylfuran-2-yl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326599
(4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326690
isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473192
3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129000545
2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile
CID 129004700
(2-methoxy-3-pyridinyl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472499
3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one
CID 127955758
(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129333071
(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129477357

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 128992090) is (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CC(C)c1nnc(C2CN(C(=O)c3cc(C(C)(C)C)on3)CCO2)o1.
What is the InChIKey of (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is QGMMRQQOJIUCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-10(2)14-18-19-15(24-14)12-9-21(6-7-23-12)16(22)11-8-13(25-20-11)17(3,4)5/h8,10,12H,6-7,9H2,1-5H3.
What are the key properties of (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
(5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 348.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 128992090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).