4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide

C16H18N4O3 — CID 75388652

IUPAC4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1
InChIInChI=1S/C16H18N4O3/c1-12(21)19-6-8-20(9-7-19)16(22)18-14-4-2-3-13(11-14)15-17-5-10-23-15/h2-5,10-11H,6-9H2,1H3,(H,18,22)
InChIKeyOAVVTZUFSABQAE-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.04
Rot. Bonds2

About 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide

4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide (PubChem CID 75388652) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
PubChem CID75388652
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1
InChIInChI=1S/C16H18N4O3/c1-12(21)19-6-8-20(9-7-19)16(22)18-14-4-2-3-13(11-14)15-17-5-10-23-15/h2-5,10-11H,6-9H2,1H3,(H,18,22)
InChIKeyOAVVTZUFSABQAE-UHFFFAOYSA-N
XLogP2.04
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 86803982
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-2-phenylmorpholine-4-carboxamide
CID 124614069
4-acetyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 72874124
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 97098726
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 72872766
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 60577718
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 126787318
1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 122159499
1-[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 97086301
N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide
CID 97326645
N-[3-[5-(1,3-oxazol-2-yl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016345
4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide
CID 72873411

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide (CID 75388652) is 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1.
What is the InChIKey of 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is OAVVTZUFSABQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-12(21)19-6-8-20(9-7-19)16(22)18-14-4-2-3-13(11-14)15-17-5-10-23-15/h2-5,10-11H,6-9H2,1H3,(H,18,22).
What are the key properties of 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide?
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 75388652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).