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

C15H18N4O4 — CID 121161503

IUPAC[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3cnoc3C)CC2)n1
InChIInChI=1S/C15H18N4O4/c1-10-12(9-17-23-10)14(20)19-7-4-11(5-8-19)22-13-3-6-16-15(18-13)21-2/h3,6,9,11H,4-5,7-8H2,1-2H3
InChIKeyTXVUPBVVFBWAPW-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.47
Rot. Bonds4

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

[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 121161503) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID121161503
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3cnoc3C)CC2)n1
InChIInChI=1S/C15H18N4O4/c1-10-12(9-17-23-10)14(20)19-7-4-11(5-8-19)22-13-3-6-16-15(18-13)21-2/h3,6,9,11H,4-5,7-8H2,1-2H3
InChIKeyTXVUPBVVFBWAPW-UHFFFAOYSA-N
XLogP1.47
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(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
3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 121161190
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161436
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 100632774
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
[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
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161177
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 121161503) is [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is COc1nccc(OC2CCN(C(=O)c3cnoc3C)CC2)n1.
What is the InChIKey of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is TXVUPBVVFBWAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10-12(9-17-23-10)14(20)19-7-4-11(5-8-19)22-13-3-6-16-15(18-13)21-2/h3,6,9,11H,4-5,7-8H2,1-2H3.
What are the key properties of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 318.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 121161503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).