4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one

C18H20N4O4 — CID 135096385

IUPAC4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCN1
InChIInChI=1S/C18H20N4O4/c23-14-12-22(7-6-19-14)18(24)15-16(13-4-2-1-3-5-13)26-20-17(15)21-8-10-25-11-9-21/h1-5H,6-12H2,(H,19,23)
InChIKeyQIRXIOLFQLNNDT-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.75
Rot. Bonds3

About 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one

4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one (PubChem CID 135096385) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one
PubChem CID135096385
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCN1
InChIInChI=1S/C18H20N4O4/c23-14-12-22(7-6-19-14)18(24)15-16(13-4-2-1-3-5-13)26-20-17(15)21-8-10-25-11-9-21/h1-5H,6-12H2,(H,19,23)
InChIKeyQIRXIOLFQLNNDT-UHFFFAOYSA-N
XLogP0.75
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135087587
2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135092562
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135118204
3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 135105344
[2-(aminomethyl)morpholin-4-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone;hydrochloride
CID 154916307
N-[(3S)-1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]acetamide
CID 135088868
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135099423
5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid
CID 163314828
N-(1-methyl-6-oxopiperidin-3-yl)-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135119979
N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135115347
4-(morpholine-4-carbonyl)piperazin-2-one
CID 112722940
4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 47123816

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one (CID 135096385) is 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CCN1.
What is the InChIKey of 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one?
The InChIKey is QIRXIOLFQLNNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-14-12-22(7-6-19-14)18(24)15-16(13-4-2-1-3-5-13)26-20-17(15)21-8-10-25-11-9-21/h1-5H,6-12H2,(H,19,23).
What are the key properties of 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one?
4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one has a molecular weight of 356.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 135096385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).