3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one

C28H30N4O2 — CID 108809163

IUPAC3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)N3CCN(c4ccc5ccccc5n4)CC3)o2)cc1
InChIInChI=1S/C28H30N4O2/c1-20(2)21-7-9-23(10-8-21)25-19-29-27(34-25)13-14-28(33)32-17-15-31(16-18-32)26-12-11-22-5-3-4-6-24(22)30-26/h3-12,19-20H,13-18H2,1-2H3
InChIKeySXCFXYHSZUZNHU-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.29
Rot. Bonds6

About 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one

3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 108809163) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID108809163
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)N3CCN(c4ccc5ccccc5n4)CC3)o2)cc1
InChIInChI=1S/C28H30N4O2/c1-20(2)21-7-9-23(10-8-21)25-19-29-27(34-25)13-14-28(33)32-17-15-31(16-18-32)26-12-11-22-5-3-4-6-24(22)30-26/h3-12,19-20H,13-18H2,1-2H3
InChIKeySXCFXYHSZUZNHU-UHFFFAOYSA-N
XLogP5.29
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108809162
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 16594239
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41248921
4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764163
methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate
CID 108809123
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 24627726
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784875
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 29482281
4-(2,6-dimethylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764157
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798077

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one (CID 108809163) is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one is CC(C)c1ccc(-c2cnc(CCC(=O)N3CCN(c4ccc5ccccc5n4)CC3)o2)cc1.
What is the InChIKey of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is SXCFXYHSZUZNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-20(2)21-7-9-23(10-8-21)25-19-29-27(34-25)13-14-28(33)32-17-15-31(16-18-32)26-12-11-22-5-3-4-6-24(22)30-26/h3-12,19-20H,13-18H2,1-2H3.
What are the key properties of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 454.57 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 108809163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).