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

C14H16N2O2 — CID 12824754

IUPAC5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(c2ccc(C3=NCC(C)O3)cc2)O1
InChIInChI=1S/C14H16N2O2/c1-9-7-15-13(17-9)11-3-5-12(6-4-11)14-16-8-10(2)18-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDEXHGMUVBNTXIN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.02
Rot. Bonds2

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

5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 12824754) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID12824754
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(c2ccc(C3=NCC(C)O3)cc2)O1
InChIInChI=1S/C14H16N2O2/c1-9-7-15-13(17-9)11-3-5-12(6-4-11)14-16-8-10(2)18-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDEXHGMUVBNTXIN-UHFFFAOYSA-N
XLogP2.02
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (CID 12824754) is 5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is CC1CN=C(c2ccc(C3=NCC(C)O3)cc2)O1.
What is the InChIKey of 5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DEXHGMUVBNTXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-7-15-13(17-9)11-3-5-12(6-4-11)14-16-8-10(2)18-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 244.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12824754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).