2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

C23H26N4O3 — CID 16670469

IUPAC2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(c3nc(C)ncc3-c3cc(C)no3)C2)cc1
InChIInChI=1S/C23H26N4O3/c1-15-11-21(30-26-15)20-13-24-16(2)25-23(20)18-5-4-10-27(14-18)22(28)12-17-6-8-19(29-3)9-7-17/h6-9,11,13,18H,4-5,10,12,14H2,1-3H3
InChIKeyBKMNIQFFWDABNX-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 16670469) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID16670469
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(c3nc(C)ncc3-c3cc(C)no3)C2)cc1
InChIInChI=1S/C23H26N4O3/c1-15-11-21(30-26-15)20-13-24-16(2)25-23(20)18-5-4-10-27(14-18)22(28)12-17-6-8-19(29-3)9-7-17/h6-9,11,13,18H,4-5,10,12,14H2,1-3H3
InChIKeyBKMNIQFFWDABNX-UHFFFAOYSA-N
XLogP3.71
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
Dipyridodiazepinone deriv. 60
CID 463579
3-(4-Methoxyphenyl)-N-(2-morpholinopyrimidin-4-yl)isoxazol-5-amine
CID 146018837
4-(4-Methoxybenzyl)-6-{1-[(4-nitrophenyl)carbonyl]-piperidin-4-yl}pyrimidin-2-amine
CID 44275762
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
3-(2-Methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
CID 11495368
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine
CID 11697378
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(1,6-dihydro-pyridin-3-yl)-acetamide
CID 44374378

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 16670469) is 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCCC(c3nc(C)ncc3-c3cc(C)no3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is BKMNIQFFWDABNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-11-21(30-26-15)20-13-24-16(2)25-23(20)18-5-4-10-27(14-18)22(28)12-17-6-8-19(29-3)9-7-17/h6-9,11,13,18H,4-5,10,12,14H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 406.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 16670469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).