4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one

C14H21N3O3 — CID 134790852

IUPAC4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one
SMILESCc1cc(CN2CCC(N3CCOCC3=O)CC2)no1
InChIInChI=1S/C14H21N3O3/c1-11-8-12(15-20-11)9-16-4-2-13(3-5-16)17-6-7-19-10-14(17)18/h8,13H,2-7,9-10H2,1H3
InChIKeyTWQIIHSQFZVPKO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.81
Rot. Bonds3

About 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one

4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one (PubChem CID 134790852) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one
PubChem CID134790852
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one
SMILESCc1cc(CN2CCC(N3CCOCC3=O)CC2)no1
InChIInChI=1S/C14H21N3O3/c1-11-8-12(15-20-11)9-16-4-2-13(3-5-16)17-6-7-19-10-14(17)18/h8,13H,2-7,9-10H2,1H3
InChIKeyTWQIIHSQFZVPKO-UHFFFAOYSA-N
XLogP0.81
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one with MolForge

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Related Compounds

(5-Methyl-1,2-oxazol-3-yl)[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]methanone
CID 2970475
Ethyl 4-[(3-methylisoxazol-5-yl)carbonyl]piperazinecarboxylate
CID 5307813
3-methyl-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 17095595
1-[3-[4-[(5-Methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 53509891
N,N-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]methanamine
CID 53609647
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-piperidin-1-ylethyl)isoxazole-3-carboxamide
CID 56759297
(4aR,7aR)-4-(cyclopropylmethyl)-6-(5-methyl-1,2-oxazole-3-carbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97508843
[(2R,3aS,7aR)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 97950357
[2-Methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740266
(2-Ethylpiperidino)(3-methyl-5-isoxazolyl)methanone
CID 20868335
N-(1-(2-methoxyethyl)piperidin-4-yl)-5-methylisoxazole-3-carboxamide
CID 47420965
(3-(Hydroxymethyl)morpholino)(5-methylisoxazol-3-yl)methanone
CID 71785829

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one (CID 134790852) is 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one is Cc1cc(CN2CCC(N3CCOCC3=O)CC2)no1.
What is the InChIKey of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is TWQIIHSQFZVPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-8-12(15-20-11)9-16-4-2-13(3-5-16)17-6-7-19-10-14(17)18/h8,13H,2-7,9-10H2,1H3.
What are the key properties of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one?
4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 279.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 134790852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).