2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C21H30N2O2 — CID 70879083

IUPAC2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1cc(CC2=NC(C(C)C)CO2)ccc1CC1=NC(C(C)C)CO1
InChIInChI=1S/C21H30N2O2/c1-13(2)18-11-24-20(22-18)9-16-6-7-17(15(5)8-16)10-21-23-19(12-25-21)14(3)4/h6-8,13-14,18-19H,9-12H2,1-5H3
InChIKeyXKQAWVXIDFLHJG-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.99
Rot. Bonds6

About 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 70879083) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID70879083
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1cc(CC2=NC(C(C)C)CO2)ccc1CC1=NC(C(C)C)CO1
InChIInChI=1S/C21H30N2O2/c1-13(2)18-11-24-20(22-18)9-16-6-7-17(15(5)8-16)10-21-23-19(12-25-21)14(3)4/h6-8,13-14,18-19H,9-12H2,1-5H3
InChIKeyXKQAWVXIDFLHJG-UHFFFAOYSA-N
XLogP3.99
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 70879083) is 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is Cc1cc(CC2=NC(C(C)C)CO2)ccc1CC1=NC(C(C)C)CO1.
What is the InChIKey of 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is XKQAWVXIDFLHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-13(2)18-11-24-20(22-18)9-16-6-7-17(15(5)8-16)10-21-23-19(12-25-21)14(3)4/h6-8,13-14,18-19H,9-12H2,1-5H3.
What are the key properties of 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 342.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70879083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).