(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

C17H20N4O4 — CID 121161436

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1
InChIInChI=1S/C17H20N4O4/c1-23-17-18-7-4-15(19-17)24-12-5-8-21(9-6-12)16(22)13-10-14(25-20-13)11-2-3-11/h4,7,10-12H,2-3,5-6,8-9H2,1H3
InChIKeyBSLSKGZBZOSCSR-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.03
Rot. Bonds5

About (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 121161436) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID121161436
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1
InChIInChI=1S/C17H20N4O4/c1-23-17-18-7-4-15(19-17)24-12-5-8-21(9-6-12)16(22)13-10-14(25-20-13)11-2-3-11/h4,7,10-12H,2-3,5-6,8-9H2,1H3
InChIKeyBSLSKGZBZOSCSR-UHFFFAOYSA-N
XLogP2.03
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121161503
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
(2,5-dimethylfuran-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161386
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566485
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121161309
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 121161190
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161197
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161428

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 121161436) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is COc1nccc(OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is BSLSKGZBZOSCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-17-18-7-4-15(19-17)24-12-5-8-21(9-6-12)16(22)13-10-14(25-20-13)11-2-3-11/h4,7,10-12H,2-3,5-6,8-9H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 344.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121161436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).