3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C27H26N4O2 — CID 18293107

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C27H26N4O2/c32-25(31-19-17-30(18-20-31)23-13-7-8-16-28-23)15-14-24-29-26(21-9-3-1-4-10-21)27(33-24)22-11-5-2-6-12-22/h1-13,16H,14-15,17-20H2
InChIKeyPLMNHJGQZCAIHF-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.68
Rot. Bonds6

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 18293107) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID18293107
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C27H26N4O2/c32-25(31-19-17-30(18-20-31)23-13-7-8-16-28-23)15-14-24-29-26(21-9-3-1-4-10-21)27(33-24)22-11-5-2-6-12-22/h1-13,16H,14-15,17-20H2
InChIKeyPLMNHJGQZCAIHF-UHFFFAOYSA-N
XLogP4.68
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 18271632
N-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 43040254
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110330822
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 27377025
2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
CID 52710834
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110678855
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 18293107) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is PLMNHJGQZCAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-25(31-19-17-30(18-20-31)23-13-7-8-16-28-23)15-14-24-29-26(21-9-3-1-4-10-21)27(33-24)22-11-5-2-6-12-22/h1-13,16H,14-15,17-20H2.
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 438.53 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 18293107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).