3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one

C27H33N3O3 — CID 86966390

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
SMILESCCC1CN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CCN1CCOC
InChIInChI=1S/C27H33N3O3/c1-3-23-20-30(17-16-29(23)18-19-32-2)25(31)15-14-24-28-26(21-10-6-4-7-11-21)27(33-24)22-12-8-5-9-13-22/h4-13,23H,3,14-20H2,1-2H3
InChIKeyCWRORXVNQRGOGF-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.51
Rot. Bonds9

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one

3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 86966390) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
PubChem CID86966390
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
SMILESCCC1CN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CCN1CCOC
InChIInChI=1S/C27H33N3O3/c1-3-23-20-30(17-16-29(23)18-19-32-2)25(31)15-14-24-28-26(21-10-6-4-7-11-21)27(33-24)22-12-8-5-9-13-22/h4-13,23H,3,14-20H2,1-2H3
InChIKeyCWRORXVNQRGOGF-UHFFFAOYSA-N
XLogP4.51
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 18271632
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18293107
2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
CID 52710834
1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
CID 86966442
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
CID 71875566
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119880349
3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 86883824
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418573
2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
CID 68798727

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one (CID 86966390) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one is CCC1CN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CCN1CCOC.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is CWRORXVNQRGOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-3-23-20-30(17-16-29(23)18-19-32-2)25(31)15-14-24-28-26(21-10-6-4-7-11-21)27(33-24)22-12-8-5-9-13-22/h4-13,23H,3,14-20H2,1-2H3.
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 447.58 g/mol, XLogP of 4.51, 9 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-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 86966390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).