3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine

C54H78FN7O3 — CID 159808907

IUPAC3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1ncccc1F.CC(C)c1ncco1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1nc(C(C)C)co1.Cc1ncoc1C(C)C
InChIInChI=1S/2C9H13N.C8H10FN.C8H11N.2C7H11NO.C6H9NO/c1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-7-3-4-8-6/h2*4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyNKTMUFPAXDVNQA-UHFFFAOYSA-N
MW892.26 g/mol
LogP15.59
Rot. Bonds7

About 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine

3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine (PubChem CID 159808907) has the molecular formula C54H78FN7O3 and a molecular weight of 892.26 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine
PubChem CID159808907
Molecular FormulaC54H78FN7O3
Molecular Weight892.26 g/mol
Exact Mass891.62
IUPAC Name3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1ncccc1F.CC(C)c1ncco1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1nc(C(C)C)co1.Cc1ncoc1C(C)C
InChIInChI=1S/2C9H13N.C8H10FN.C8H11N.2C7H11NO.C6H9NO/c1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-7-3-4-8-6/h2*4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyNKTMUFPAXDVNQA-UHFFFAOYSA-N
XLogP15.59
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.26
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine with MolForge

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Related Compounds

Ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)
CID 142602697
Ethane;3-methyl-4,5-dihydro-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine
CID 158067436
4-Tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane
CID 158685358
Ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 159201861
cis-(1R,3S)-1-isocyano-3-propan-2-ylcyclohexane;cis-(1S,3R)-1-isocyano-3-propan-2-ylcyclohexane;2,3-dimethylbutane;1-isocyano-3-propan-2-ylcyclohexane;bis(1-methoxy-4-propan-2-ylcyclohexane);(3R,4S)-3-methoxy-4-propan-2-yloxane;(3S,4R)-3-methoxy-4-propan-2-yloxane;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-propan-2-ylmorpholine;(1S,5R)-6-propan-2-yl-3-oxabicyclo[3.1.0]hexane;3-propan-2-yloxane;(3R)-3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine
CID 160406769
Ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 160566129
Methane;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid
CID 161975676
Methane;1-methyl-3-propan-2-ylbenzene;bis(5-methyl-2-propan-2-yl-1,3-oxazole);tris(2-methyl-4-propan-2-ylpyridine)
CID 164967720
Methane;bis(1-methyl-3-propan-2-ylbenzene);bis(5-methyl-2-propan-2-yl-1,3-oxazole);bis(2-methyl-4-propan-2-ylpyridine)
CID 165027163
methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;5-(2-methylpropyl)-2H-pyrrole
CID 167651340

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine?
The IUPAC name of 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine (CID 159808907) is 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine.
What is the SMILES notation for 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine?
The canonical SMILES for 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine is CC(C)c1ccccn1.CC(C)c1ncccc1F.CC(C)c1ncco1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1nc(C(C)C)co1.Cc1ncoc1C(C)C.
What is the InChIKey of 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine?
The InChIKey is NKTMUFPAXDVNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13N.C8H10FN.C8H11N.2C7H11NO.C6H9NO/c1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-7-3-4-8-6/h2*4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine?
3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine has a molecular weight of 892.26 g/mol, XLogP of 15.59, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine is sourced from PubChem (CID 159808907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).