methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole

C25H30N2O — CID 157349787

IUPACmethane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole
SMILESC.Cc1ccc(C2CC3CCC(C2c2ncc(-c4ccccc4)o2)N3C)cc1
InChIInChI=1S/C24H26N2O.CH4/c1-16-8-10-17(11-9-16)20-14-19-12-13-21(26(19)2)23(20)24-25-15-22(27-24)18-6-4-3-5-7-18;/h3-11,15,19-21,23H,12-14H2,1-2H3;1H4
InChIKeyBHJWJMLUTHGTDU-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.02
Rot. Bonds3

About methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole

methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole (PubChem CID 157349787) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Namemethane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole
PubChem CID157349787
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Namemethane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole
SMILESC.Cc1ccc(C2CC3CCC(C2c2ncc(-c4ccccc4)o2)N3C)cc1
InChIInChI=1S/C24H26N2O.CH4/c1-16-8-10-17(11-9-16)20-14-19-12-13-21(26(19)2)23(20)24-25-15-22(27-24)18-6-4-3-5-7-18;/h3-11,15,19-21,23H,12-14H2,1-2H3;1H4
InChIKeyBHJWJMLUTHGTDU-UHFFFAOYSA-N
XLogP6.02
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole?
The IUPAC name of methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole (CID 157349787) is methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole?
The canonical SMILES for methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole is C.Cc1ccc(C2CC3CCC(C2c2ncc(-c4ccccc4)o2)N3C)cc1.
What is the InChIKey of methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole?
The InChIKey is BHJWJMLUTHGTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O.CH4/c1-16-8-10-17(11-9-16)20-14-19-12-13-21(26(19)2)23(20)24-25-15-22(27-24)18-6-4-3-5-7-18;/h3-11,15,19-21,23H,12-14H2,1-2H3;1H4.
What are the key properties of methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole?
methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole has a molecular weight of 374.53 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 157349787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).