2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine

C61H72N10O — CID 159955008

IUPAC2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
SMILESCC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/2C15H17N.C12H14N2O.C11H12N4.C8H12N2/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-6(2)8-9-4-7(3)5-10-8/h2*4-11H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;4-6H,1-3H3
InChIKeyOCPIUNDNMUWFLF-UHFFFAOYSA-N
MW961.32 g/mol
LogP15.49
Rot. Bonds9

About 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine

2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine (PubChem CID 159955008) has the molecular formula C61H72N10O and a molecular weight of 961.32 g/mol. Its IUPAC name is 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
PubChem CID159955008
Molecular FormulaC61H72N10O
Molecular Weight961.32 g/mol
Exact Mass960.59
IUPAC Name2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
SMILESCC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/2C15H17N.C12H14N2O.C11H12N4.C8H12N2/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-6(2)8-9-4-7(3)5-10-8/h2*4-11H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;4-6H,1-3H3
InChIKeyOCPIUNDNMUWFLF-UHFFFAOYSA-N
XLogP15.49
TPSA142.04 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.32
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine with MolForge

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Related Compounds

2-[3,4-Bis(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71456642
2-[3-(1,8-Naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole
CID 71458497
2-(2-fluorophenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
CID 45784107
N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040560
N-[2-[4-[[4-[5-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 127041836
N-[5-[5-[4-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042113
N-[5-[5-[4-[[4-(2-isothiocyanatoethyl)piperazin-1-yl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042116
N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042288
2-[4-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71451316
2-{4-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-YL]piperidin-1-YL}-4-methylpyrimidine
CID 72855908
N-[2-methyl-5-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040242
N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040574

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?
The IUPAC name of 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine (CID 159955008) is 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine is CC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?
The InChIKey is OCPIUNDNMUWFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N.C12H14N2O.C11H12N4.C8H12N2/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-6(2)8-9-4-7(3)5-10-8/h2*4-11H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;4-6H,1-3H3.
What are the key properties of 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?
2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine has a molecular weight of 961.32 g/mol, XLogP of 15.49, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 159955008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).