3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile

C15H10N2O2 — CID 47118122

IUPAC3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile
SMILESN#Cc1cccc(OCc2nc3ccccc3o2)c1
InChIInChI=1S/C15H10N2O2/c16-9-11-4-3-5-12(8-11)18-10-15-17-13-6-1-2-7-14(13)19-15/h1-8H,10H2
InChIKeySTTHSFQJCJIKCZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.28
Rot. Bonds3

About 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile

3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile (PubChem CID 47118122) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile
PubChem CID47118122
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile
SMILESN#Cc1cccc(OCc2nc3ccccc3o2)c1
InChIInChI=1S/C15H10N2O2/c16-9-11-4-3-5-12(8-11)18-10-15-17-13-6-1-2-7-14(13)19-15/h1-8H,10H2
InChIKeySTTHSFQJCJIKCZ-UHFFFAOYSA-N
XLogP3.28
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486021
4-(1,3-benzoxazol-2-ylmethoxy)-3-ethoxybenzonitrile
CID 51228371
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
4-(1,3-benzoxazol-2-ylmethyl)benzonitrile
CID 12624564
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
CID 82357792
4-(1,3-benzoxazol-2-ylmethoxy)-2-methylbenzoic acid
CID 107671276
ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole
CID 162737559
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile?
The IUPAC name of 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile (CID 47118122) is 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile is N#Cc1cccc(OCc2nc3ccccc3o2)c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile?
The InChIKey is STTHSFQJCJIKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c16-9-11-4-3-5-12(8-11)18-10-15-17-13-6-1-2-7-14(13)19-15/h1-8H,10H2.
What are the key properties of 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile?
3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile has a molecular weight of 250.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 47118122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).