3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole

C18H27N5O — CID 97467399

IUPAC3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2cc(CN3CCCCC3)nc2C1
InChIInChI=1S/C18H27N5O/c1-14-17(15(2)24-20-14)12-22-8-9-23-11-16(19-18(23)13-22)10-21-6-4-3-5-7-21/h11H,3-10,12-13H2,1-2H3
InChIKeyMUJXKUPKOQKSJV-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.49
Rot. Bonds4

About 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole (PubChem CID 97467399) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
PubChem CID97467399
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2cc(CN3CCCCC3)nc2C1
InChIInChI=1S/C18H27N5O/c1-14-17(15(2)24-20-14)12-22-8-9-23-11-16(19-18(23)13-22)10-21-6-4-3-5-7-21/h11H,3-10,12-13H2,1-2H3
InChIKeyMUJXKUPKOQKSJV-UHFFFAOYSA-N
XLogP2.49
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-Dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole
CID 3233307
4-(4-Imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 3234277
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3233765
3,5-Dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole
CID 3235556
3,5-Dimethyl-4-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53566665
3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-methyl-1,2-oxazole
CID 53576753
3,5-Dimethyl-4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53577382
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53617722
3-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole
CID 53626480
1-[(3,5-dimethyl-4-isoxazolyl)acetyl]-3-[(2-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 70730701
4-[[2-(1-Ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 84592407
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine
CID 97390262

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole (CID 97467399) is 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCn2cc(CN3CCCCC3)nc2C1.
What is the InChIKey of 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The InChIKey is MUJXKUPKOQKSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14-17(15(2)24-20-14)12-22-8-9-23-11-16(19-18(23)13-22)10-21-6-4-3-5-7-21/h11H,3-10,12-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole has a molecular weight of 329.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97467399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).