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

C19H20N4O2 — CID 70761884

IUPAC[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCn1ccnc1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H20N4O2/c1-22-12-9-20-18(22)15-7-10-23(11-8-15)19(24)17-13-16(21-25-17)14-5-3-2-4-6-14/h2-6,9,12-13,15H,7-8,10-11H2,1H3
InChIKeyUAUVPXVKMWYHGG-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.09
Rot. Bonds3

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

[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 70761884) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID70761884
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCn1ccnc1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H20N4O2/c1-22-12-9-20-18(22)15-7-10-23(11-8-15)19(24)17-13-16(21-25-17)14-5-3-2-4-6-14/h2-6,9,12-13,15H,7-8,10-11H2,1H3
InChIKeyUAUVPXVKMWYHGG-UHFFFAOYSA-N
XLogP3.09
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119563333
[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 60956875
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 74245032
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 46471114
N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 134700846
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70767253
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 56749202
(3S,4S)-4-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952058
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 120879950

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 70761884) is [4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is Cn1ccnc1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is UAUVPXVKMWYHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-12-9-20-18(22)15-7-10-23(11-8-15)19(24)17-13-16(21-25-17)14-5-3-2-4-6-14/h2-6,9,12-13,15H,7-8,10-11H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 70761884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).