4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one

C14H15N3O2 — CID 8548455

IUPAC4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cc(-c3ccccc3)on2)CCN1
InChIInChI=1S/C14H15N3O2/c18-14-10-17(7-6-15-14)9-12-8-13(19-16-12)11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,15,18)
InChIKeyXMIAHLDCNMPMEX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.27
Rot. Bonds3

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

4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one (PubChem CID 8548455) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
PubChem CID8548455
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cc(-c3ccccc3)on2)CCN1
InChIInChI=1S/C14H15N3O2/c18-14-10-17(7-6-15-14)9-12-8-13(19-16-12)11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,15,18)
InChIKeyXMIAHLDCNMPMEX-UHFFFAOYSA-N
XLogP1.27
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 8962629
3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 104977337
5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397934
5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 8616101
4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 36925300
7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866713
N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 120966206
4-[[3-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]piperazin-2-one
CID 43320465
4-[(6-amino-2-pyridinyl)methyl]piperazin-2-one
CID 79243693
3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 120966966
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 37264714
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085040

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one (CID 8548455) is 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one is O=C1CN(Cc2cc(-c3ccccc3)on2)CCN1.
What is the InChIKey of 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one?
The InChIKey is XMIAHLDCNMPMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14-10-17(7-6-15-14)9-12-8-13(19-16-12)11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,15,18).
What are the key properties of 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one?
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one is sourced from PubChem (CID 8548455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).