[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C19H27N5O3 — CID 133400610

IUPAC[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCOCc1cc(N2CCN(C(=O)c3cc(C)no3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H27N5O3/c1-13-10-15(27-22-13)17(25)24-8-6-23(7-9-24)16-11-14(12-26-5)20-18(21-16)19(2,3)4/h10-11H,6-9,12H2,1-5H3
InChIKeyFHOICTKZURMWSC-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.18
Rot. Bonds4

About [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 133400610) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID133400610
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCOCc1cc(N2CCN(C(=O)c3cc(C)no3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H27N5O3/c1-13-10-15(27-22-13)17(25)24-8-6-23(7-9-24)16-11-14(12-26-5)20-18(21-16)19(2,3)4/h10-11H,6-9,12H2,1-5H3
InChIKeyFHOICTKZURMWSC-UHFFFAOYSA-N
XLogP2.18
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 84589613
[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-chloro-2-fluorophenyl)methanone
CID 133401120
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
CID 133401963
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
CID 133400871
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-ethylazetidin-3-ol
CID 133497888
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56796895
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-(oxan-4-yl)-1,4-diazepane
CID 133402150

Frequently Asked Questions

What is the IUPAC name of [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 133400610) is [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is COCc1cc(N2CCN(C(=O)c3cc(C)no3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is FHOICTKZURMWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13-10-15(27-22-13)17(25)24-8-6-23(7-9-24)16-11-14(12-26-5)20-18(21-16)19(2,3)4/h10-11H,6-9,12H2,1-5H3.
What are the key properties of [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 133400610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).