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

C27H29N5O2 — CID 108809162

IUPAC3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)N3CCN(c4cnc5ccccc5n4)CC3)o2)cc1
InChIInChI=1S/C27H29N5O2/c1-19(2)20-7-9-21(10-8-20)24-17-29-26(34-24)11-12-27(33)32-15-13-31(14-16-32)25-18-28-22-5-3-4-6-23(22)30-25/h3-10,17-19H,11-16H2,1-2H3
InChIKeyZCXOIQNTSRVDRW-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.69
Rot. Bonds6

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

3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 108809162) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID108809162
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)N3CCN(c4cnc5ccccc5n4)CC3)o2)cc1
InChIInChI=1S/C27H29N5O2/c1-19(2)20-7-9-21(10-8-20)24-17-29-26(34-24)11-12-27(33)32-15-13-31(14-16-32)25-18-28-22-5-3-4-6-23(22)30-25/h3-10,17-19H,11-16H2,1-2H3
InChIKeyZCXOIQNTSRVDRW-UHFFFAOYSA-N
XLogP4.69
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108809163
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
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
2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108764012
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
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
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
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-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one (CID 108809162) is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-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-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one is CC(C)c1ccc(-c2cnc(CCC(=O)N3CCN(c4cnc5ccccc5n4)CC3)o2)cc1.
What is the InChIKey of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is ZCXOIQNTSRVDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-19(2)20-7-9-21(10-8-20)24-17-29-26(34-24)11-12-27(33)32-15-13-31(14-16-32)25-18-28-22-5-3-4-6-23(22)30-25/h3-10,17-19H,11-16H2,1-2H3.
What are the key properties of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 455.56 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-quinoxalin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 108809162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).