4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide

C20H22N6O2 — CID 72873411

IUPAC4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCCc1cc(N2CCN(C(=O)Nc3cccc(-c4cnco4)c3)CC2)ncn1
InChIInChI=1S/C20H22N6O2/c1-2-16-11-19(23-13-22-16)25-6-8-26(9-7-25)20(27)24-17-5-3-4-15(10-17)18-12-21-14-28-18/h3-5,10-14H,2,6-9H2,1H3,(H,24,27)
InChIKeyYIBSIIIZBOWPOT-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.05
Rot. Bonds4

About 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide

4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide (PubChem CID 72873411) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide
PubChem CID72873411
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCCc1cc(N2CCN(C(=O)Nc3cccc(-c4cnco4)c3)CC2)ncn1
InChIInChI=1S/C20H22N6O2/c1-2-16-11-19(23-13-22-16)25-6-8-26(9-7-25)20(27)24-17-5-3-4-15(10-17)18-12-21-14-28-18/h3-5,10-14H,2,6-9H2,1H3,(H,24,27)
InChIKeyYIBSIIIZBOWPOT-UHFFFAOYSA-N
XLogP3.05
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-ethylpyrimidin-4-yl)-N-(4-oxochromen-6-yl)piperazine-1-carboxamide
CID 72914526
N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 53104085
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 97281863
N-(3-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56921079
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
N-[3-(1,3-oxazol-5-yl)phenyl]imidazole-1-carboxamide
CID 81257187
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
2-(ethylamino)-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62835671
2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60926904
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide (CID 72873411) is 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide is CCc1cc(N2CCN(C(=O)Nc3cccc(-c4cnco4)c3)CC2)ncn1.
What is the InChIKey of 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is YIBSIIIZBOWPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-16-11-19(23-13-22-16)25-6-8-26(9-7-25)20(27)24-17-5-3-4-15(10-17)18-12-21-14-28-18/h3-5,10-14H,2,6-9H2,1H3,(H,24,27).
What are the key properties of 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide?
4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethylpyrimidin-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 72873411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).