N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide

C28H27N5O3 — CID 53011665

IUPACN-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide
SMILESCCN(C(=O)c1ccccc1-c1ocnc1C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C28H27N5O3/c1-2-33(21-10-4-3-5-11-21)27(34)23-13-7-6-12-22(23)26-25(30-20-36-26)28(35)32-18-16-31(17-19-32)24-14-8-9-15-29-24/h3-15,20H,2,16-19H2,1H3
InChIKeyJHOKXEHPMWRZSC-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.37
Rot. Bonds6

About N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide

N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide (PubChem CID 53011665) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide
PubChem CID53011665
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide
SMILESCCN(C(=O)c1ccccc1-c1ocnc1C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C28H27N5O3/c1-2-33(21-10-4-3-5-11-21)27(34)23-13-7-6-12-22(23)26-25(30-20-36-26)28(35)32-18-16-31(17-19-32)24-14-8-9-15-29-24/h3-15,20H,2,16-19H2,1H3
InChIKeyJHOKXEHPMWRZSC-UHFFFAOYSA-N
XLogP4.37
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122915
N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122934
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122930
azepan-1-yl-[2-[4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122960
5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 53122944
N-[(2-chloro-4-fluorophenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122936
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
N-ethyl-5-methyl-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46481510
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide?
The IUPAC name of N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide (CID 53011665) is N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide?
The canonical SMILES for N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide is CCN(C(=O)c1ccccc1-c1ocnc1C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide?
The InChIKey is JHOKXEHPMWRZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-2-33(21-10-4-3-5-11-21)27(34)23-13-7-6-12-22(23)26-25(30-20-36-26)28(35)32-18-16-31(17-19-32)24-14-8-9-15-29-24/h3-15,20H,2,16-19H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide?
N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide has a molecular weight of 481.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide is sourced from PubChem (CID 53011665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).