(5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C22H26N4O2 — CID 56724042

IUPAC(5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C22H26N4O2/c1-16(2)21-23-10-13-26(21)15-17-8-11-25(12-9-17)22(27)19-14-20(28-24-19)18-6-4-3-5-7-18/h3-7,10,13-14,16-17H,8-9,11-12,15H2,1-2H3
InChIKeyIVPASWSIHSSIQT-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.21
Rot. Bonds5

About (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56724042) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56724042
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C22H26N4O2/c1-16(2)21-23-10-13-26(21)15-17-8-11-25(12-9-17)22(27)19-14-20(28-24-19)18-6-4-3-5-7-18/h3-7,10,13-14,16-17H,8-9,11-12,15H2,1-2H3
InChIKeyIVPASWSIHSSIQT-UHFFFAOYSA-N
XLogP4.21
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-1-(Cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 139360137
5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol
CID 153592905
4-[(1R,5S,6R)-6-(2-{4-[3-({2-[(1S)-1-hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]phenyl}ethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
CID 155294517
N-[(3S,4S)-1-(cyclobutylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678076
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678177
Hdac-IN-26
CID 146317294
US12331044, Example 59
CID 155925379
7-Ethyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2812530
6-Methyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2813808
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
N-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3245017
N-(3-(1H-Imidazol-1-yl)propyl)-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 9550543

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56724042) is (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CC(C)c1nccn1CC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is IVPASWSIHSSIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(2)21-23-10-13-26(21)15-17-8-11-25(12-9-17)22(27)19-14-20(28-24-19)18-6-4-3-5-7-18/h3-7,10,13-14,16-17H,8-9,11-12,15H2,1-2H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
(5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56724042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).