(5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone

C12H18N2O3 — CID 21039680

IUPAC(5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1oncc1C(=O)N1CCOCC1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)10-9(8-13-17-10)11(15)14-4-6-16-7-5-14/h8H,4-7H2,1-3H3
InChIKeyAITUKKSBFGZQQT-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.44
Rot. Bonds1

About (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone

(5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone (PubChem CID 21039680) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone
PubChem CID21039680
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1oncc1C(=O)N1CCOCC1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)10-9(8-13-17-10)11(15)14-4-6-16-7-5-14/h8H,4-7H2,1-3H3
InChIKeyAITUKKSBFGZQQT-UHFFFAOYSA-N
XLogP1.44
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone with MolForge

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Related Compounds

Nerbacadol
CID 65865
[4-Hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 72857497
(5-Methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97385671
1-[9-(5-Methyl-1,2-oxazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
CID 97527960
2-(2-Methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 118739765
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-5-methylisoxazole-4-carboxamide
CID 71806107
(3,5-Dimethylpiperidin-1-yl)(5-methylisoxazol-4-yl)methanone
CID 11841715
N,N,N'-trimethyl-N'-{1-[(5-propyl-4-isoxazolyl)carbonyl]-3-piperidinyl}-1,2-ethanediamine
CID 56908347
(3R)-3,4,4-trimethyl-1-[(5-propyl-4-isoxazolyl)carbonyl]-3-pyrrolidinol
CID 72938599
N-(5-Ethyl-4-isoxazolylcarbonyl)-piperidine
CID 13557174
N-(5-Propyl-4-isoxazolylcarbonyl)-piperidine
CID 13557181
N-(5-Methyl-4-isoxazolylcarbonyl)-morpholine
CID 13557182

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone (CID 21039680) is (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone is CC(C)(C)c1oncc1C(=O)N1CCOCC1.
What is the InChIKey of (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone?
The InChIKey is AITUKKSBFGZQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)10-9(8-13-17-10)11(15)14-4-6-16-7-5-14/h8H,4-7H2,1-3H3.
What are the key properties of (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone?
(5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone has a molecular weight of 238.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2-oxazol-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 21039680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).