[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C16H22N6O2 — CID 3850350

IUPAC[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C(N)c1nc(C(=O)N2CCN(c3ncccn3)CC2)co1
InChIInChI=1S/C16H22N6O2/c1-11(2)13(17)14-20-12(10-24-14)15(23)21-6-8-22(9-7-21)16-18-4-3-5-19-16/h3-5,10-11,13H,6-9,17H2,1-2H3
InChIKeyMVVKSQOVXBGIPA-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.08
Rot. Bonds4

About [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 3850350) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID3850350
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C(N)c1nc(C(=O)N2CCN(c3ncccn3)CC2)co1
InChIInChI=1S/C16H22N6O2/c1-11(2)13(17)14-20-12(10-24-14)15(23)21-6-8-22(9-7-21)16-18-4-3-5-19-16/h3-5,10-11,13H,6-9,17H2,1-2H3
InChIKeyMVVKSQOVXBGIPA-UHFFFAOYSA-N
XLogP1.08
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3851144
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3469228
[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 3435157
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110393045
(2,4-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 84575538
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 3853952
azocan-1-yl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 42509334

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 3850350) is [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC(C)C(N)c1nc(C(=O)N2CCN(c3ncccn3)CC2)co1.
What is the InChIKey of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MVVKSQOVXBGIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(2)13(17)14-20-12(10-24-14)15(23)21-6-8-22(9-7-21)16-18-4-3-5-19-16/h3-5,10-11,13H,6-9,17H2,1-2H3.
What are the key properties of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3850350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).