1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone

C29H32N4O3 — CID 176967213

IUPAC1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone
SMILESCC(C)c1ccc(-c2ncc(C3(O)CCN(C(=O)Cc4cc(-c5ccccc5)no4)CC3)n2C)cc1
InChIInChI=1S/C29H32N4O3/c1-20(2)21-9-11-23(12-10-21)28-30-19-26(32(28)3)29(35)13-15-33(16-14-29)27(34)18-24-17-25(31-36-24)22-7-5-4-6-8-22/h4-12,17,19-20,35H,13-16,18H2,1-3H3
InChIKeyGZXRTLJPWUKRAB-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.92
Rot. Bonds6

About 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone

1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone (PubChem CID 176967213) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone
PubChem CID176967213
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone
SMILESCC(C)c1ccc(-c2ncc(C3(O)CCN(C(=O)Cc4cc(-c5ccccc5)no4)CC3)n2C)cc1
InChIInChI=1S/C29H32N4O3/c1-20(2)21-9-11-23(12-10-21)28-30-19-26(32(28)3)29(35)13-15-33(16-14-29)27(34)18-24-17-25(31-36-24)22-7-5-4-6-8-22/h4-12,17,19-20,35H,13-16,18H2,1-3H3
InChIKeyGZXRTLJPWUKRAB-UHFFFAOYSA-N
XLogP4.92
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone with MolForge

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Related Compounds

2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
7-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 139009201
ethyl 1-[(1S,2S)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
CID 92592889
ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
CID 92592890
ethyl (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylate
CID 92592791
N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 110236576
(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 37143786
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 134113416
1-[3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110129866
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 56749202
(3R)-N-ethyl-1-(3-methylbutanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855475
ethane;1-[4-hydroxy-4-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenylphenyl)ethanone
CID 176967127

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone (CID 176967213) is 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone is CC(C)c1ccc(-c2ncc(C3(O)CCN(C(=O)Cc4cc(-c5ccccc5)no4)CC3)n2C)cc1.
What is the InChIKey of 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is GZXRTLJPWUKRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-20(2)21-9-11-23(12-10-21)28-30-19-26(32(28)3)29(35)13-15-33(16-14-29)27(34)18-24-17-25(31-36-24)22-7-5-4-6-8-22/h4-12,17,19-20,35H,13-16,18H2,1-3H3.
What are the key properties of 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone?
1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 484.60 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]piperidin-1-yl]-2-(3-phenyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 176967213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).