3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole

C64H104N10O — CID 159002451

IUPAC3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole
SMILESC.C.C.C.C.C.C.CC1CC1.Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1ccccc1.Cc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1.Cc1ccnn1C.Cc1ncccn1
InChIInChI=1S/2C7H8.C6H10N2.3C6H7N.C5H8N2.C5H6N2.C5H7NO.C4H8.7CH4/c2*1-7-5-3-2-4-6-7;1-5-4-6(2)8(3)7-5;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-3-4-6-7(5)2;1-5-6-3-2-4-7-5;1-4-3-5(2)7-6-4;1-4-2-3-4;;;;;;;/h2*2-6H,1H3;4H,1-3H3;3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;3H,1-2H3;4H,2-3H2,1H3;7*1H4
InChIKeyJRMQIOPNEOKSAD-UHFFFAOYSA-N
MW1029.61 g/mol
LogP17.87
Rot. Bonds

About 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole

3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole (PubChem CID 159002451) has the molecular formula C64H104N10O and a molecular weight of 1029.61 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole
PubChem CID159002451
Molecular FormulaC64H104N10O
Molecular Weight1029.61 g/mol
Exact Mass1028.84
IUPAC Name3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole
SMILESC.C.C.C.C.C.C.CC1CC1.Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1ccccc1.Cc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1.Cc1ccnn1C.Cc1ncccn1
InChIInChI=1S/2C7H8.C6H10N2.3C6H7N.C5H8N2.C5H6N2.C5H7NO.C4H8.7CH4/c2*1-7-5-3-2-4-6-7;1-5-4-6(2)8(3)7-5;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-3-4-6-7(5)2;1-5-6-3-2-4-7-5;1-4-3-5(2)7-6-4;1-4-2-3-4;;;;;;;/h2*2-6H,1H3;4H,1-3H3;3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;3H,1-2H3;4H,2-3H2,1H3;7*1H4
InChIKeyJRMQIOPNEOKSAD-UHFFFAOYSA-N
XLogP17.87
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.61
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole with MolForge

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Related Compounds

US10023570, Example 436
CID 126740373
3-(3-{1-[(5-methyl-3-isoxazolyl)methyl]-1H-pyrazol-3-yl}phenyl)pyrazolo[1,5-a]pyrimidine
CID 28098366
5-[3-[3-(4-Fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-3-methyl-4,7-dihydro-2,1-benzoxazole
CID 71289174
5-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-propan-2-yl-1,2-oxazole
CID 156167542
3-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,2-oxazole
CID 156167802
5-Cyclopropyl-2-methylpyrimidine;3-methyl-5-(trifluoromethyl)-1,2-oxazole;2-methyl-5-(trifluoromethyl)pyrazine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyrimidine
CID 159755793
3-[6-Ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole
CID 95856109
2-(3-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-1H-pyrazol-3-yl}phenyl)-4-(trifluoromethyl)pyrimidine
CID 29086481
1-[4-[2-Methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 16670130
6-(3-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-1H-pyrazol-3-yl}phenyl)-N,N-dimethyl-4-pyrimidinamine
CID 28310359
5-ethyl-2-(3-{1-[(5-methyl-3-isoxazolyl)methyl]-1H-pyrazol-3-yl}phenyl)pyrimidine
CID 28311836
5-(3-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-1H-pyrazol-3-yl}phenyl)pyrimidine
CID 28955241

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole?
The IUPAC name of 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole (CID 159002451) is 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole?
The canonical SMILES for 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole is C.C.C.C.C.C.C.CC1CC1.Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1ccccc1.Cc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1.Cc1ccnn1C.Cc1ncccn1.
What is the InChIKey of 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole?
The InChIKey is JRMQIOPNEOKSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.C6H10N2.3C6H7N.C5H8N2.C5H6N2.C5H7NO.C4H8.7CH4/c2*1-7-5-3-2-4-6-7;1-5-4-6(2)8(3)7-5;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-3-4-6-7(5)2;1-5-6-3-2-4-7-5;1-4-3-5(2)7-6-4;1-4-2-3-4;;;;;;;/h2*2-6H,1H3;4H,1-3H3;3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;3H,1-2H3;4H,2-3H2,1H3;7*1H4.
What are the key properties of 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole?
3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole has a molecular weight of 1029.61 g/mol, XLogP of 17.87, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole is sourced from PubChem (CID 159002451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).