4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

C12H13N5O — CID 141361162

IUPAC4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1cc(-n2ccnc2)cn1
InChIInChI=1S/C12H13N5O/c1-9-12(10(2)18-15-9)7-17-6-11(5-14-17)16-4-3-13-8-16/h3-6,8H,7H2,1-2H3
InChIKeyPPIZWZHMUYRMPG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.72
Rot. Bonds3

About 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 141361162) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID141361162
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1cc(-n2ccnc2)cn1
InChIInChI=1S/C12H13N5O/c1-9-12(10(2)18-15-9)7-17-6-11(5-14-17)16-4-3-13-8-16/h3-6,8H,7H2,1-2H3
InChIKeyPPIZWZHMUYRMPG-UHFFFAOYSA-N
XLogP1.72
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 56815193
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-(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-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
CID 97466998
3,5-Dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
CID 97467082
(3,5-Dimethyl-1,2-oxazol-4-yl)-[9-(1-methylpyrazol-4-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 124049415
3,5-Dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 118742691
2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 3860752
3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155846323
3,5-dimethyl-4-[[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 155868846
3,5-dimethyl-4-[[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 171687887

Frequently Asked Questions

What is the IUPAC name of 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 141361162) is 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cn1cc(-n2ccnc2)cn1.
What is the InChIKey of 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is PPIZWZHMUYRMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-9-12(10(2)18-15-9)7-17-6-11(5-14-17)16-4-3-13-8-16/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 243.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-imidazol-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 141361162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).