ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole

C16H18N2O2 — CID 162737559

IUPACethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole
SMILESCC.Cc1cccc(OCc2nc3ccccc3o2)n1
InChIInChI=1S/C14H12N2O2.C2H6/c1-10-5-4-8-13(15-10)17-9-14-16-11-6-2-3-7-12(11)18-14;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyGIWOKPXBAZGHPI-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.14
Rot. Bonds3

About ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole

ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole (PubChem CID 162737559) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole.

Molecular Properties

Compound Nameethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole
PubChem CID162737559
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole
SMILESCC.Cc1cccc(OCc2nc3ccccc3o2)n1
InChIInChI=1S/C14H12N2O2.C2H6/c1-10-5-4-8-13(15-10)17-9-14-16-11-6-2-3-7-12(11)18-14;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyGIWOKPXBAZGHPI-UHFFFAOYSA-N
XLogP4.14
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
2-ethyl-1,3-benzoxazole
CID 23239
1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486021
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile
CID 47118122
4-(1,3-benzoxazol-2-ylmethoxy)-2-methylbenzoic acid
CID 107671276
2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
CID 43214774
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
2-(methoxymethoxy)-6-methylpyridine
CID 150228028

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole?
The IUPAC name of ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole (CID 162737559) is ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole.
What is the SMILES notation for ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole?
The canonical SMILES for ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole is CC.Cc1cccc(OCc2nc3ccccc3o2)n1.
What is the InChIKey of ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole?
The InChIKey is GIWOKPXBAZGHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2.C2H6/c1-10-5-4-8-13(15-10)17-9-14-16-11-6-2-3-7-12(11)18-14;1-2/h2-8H,9H2,1H3;1-2H3.
What are the key properties of ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole?
ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole has a molecular weight of 270.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole is sourced from PubChem (CID 162737559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).