5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole

C18H18N2O2 — CID 20723570

IUPAC5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
SMILESCc1cccc(OCCc2nc(-c3ccccc3)oc2C)n1
InChIInChI=1S/C18H18N2O2/c1-13-7-6-10-17(19-13)21-12-11-16-14(2)22-18(20-16)15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3
InChIKeyGBNBXHFVVSUSOQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.97
Rot. Bonds5

About 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole

5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole (PubChem CID 20723570) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
PubChem CID20723570
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
SMILESCc1cccc(OCCc2nc(-c3ccccc3)oc2C)n1
InChIInChI=1S/C18H18N2O2/c1-13-7-6-10-17(19-13)21-12-11-16-14(2)22-18(20-16)15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3
InChIKeyGBNBXHFVVSUSOQ-UHFFFAOYSA-N
XLogP3.97
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
CID 71083091
CID 71083091
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
CID 18003621
4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 141010481
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238
5-methyl-2-phenyl-4-[2-[[5-[2-(2H-tetrazol-5-yl)ethyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazole
CID 10937674
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
N-benzyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]hydroxylamine
CID 23176293
N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine
CID 20723597

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole (CID 20723570) is 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole is Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)n1.
What is the InChIKey of 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole?
The InChIKey is GBNBXHFVVSUSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-7-6-10-17(19-13)21-12-11-16-14(2)22-18(20-16)15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole?
5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole has a molecular weight of 294.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 20723570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).