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

C16H20N6O — CID 97471154

IUPAC3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2C1
InChIInChI=1S/C16H20N6O/c1-12-15(13(2)23-19-12)10-20-6-7-22-14(8-17-16(22)11-20)9-21-5-3-4-18-21/h3-5,8H,6-7,9-11H2,1-2H3
InChIKeyRDCOYTVHMABOON-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.75
Rot. Bonds4

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

3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole (PubChem CID 97471154) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
PubChem CID97471154
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2C1
InChIInChI=1S/C16H20N6O/c1-12-15(13(2)23-19-12)10-20-6-7-22-14(8-17-16(22)11-20)9-21-5-3-4-18-21/h3-5,8H,6-7,9-11H2,1-2H3
InChIKeyRDCOYTVHMABOON-UHFFFAOYSA-N
XLogP1.75
TPSA64.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-Imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 3234277
3,5-Dimethyl-4-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53566665
3,5-Dimethyl-4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53577382
3,5-Dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 56815193
N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56885678
6-cyclopentyl-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70774744
1-[(3,5-dimethylisoxazol-4-yl)methyl]-4-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72896201
3,5-Dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 75459841
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
3,5-dimethyl-4-[[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97390267
3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97392160
(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-[(1-methylimidazol-2-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97402823

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-(pyrazol-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-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole (CID 97471154) is 3,5-dimethyl-4-[[3-(pyrazol-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-[[3-(pyrazol-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-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2C1.
What is the InChIKey of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The InChIKey is RDCOYTVHMABOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12-15(13(2)23-19-12)10-20-6-7-22-14(8-17-16(22)11-20)9-21-5-3-4-18-21/h3-5,8H,6-7,9-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole has a molecular weight of 312.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97471154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).