2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile

C17H14N2O3 — CID 23176295

IUPAC2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
SMILESCc1oc(-c2ccco2)nc1CCOc1ccccc1C#N
InChIInChI=1S/C17H14N2O3/c1-12-14(19-17(22-12)16-7-4-9-20-16)8-10-21-15-6-3-2-5-13(15)11-18/h2-7,9H,8,10H2,1H3
InChIKeySQRLVWOFGYLGHK-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.74
Rot. Bonds5

About 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile

2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile (PubChem CID 23176295) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
PubChem CID23176295
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
SMILESCc1oc(-c2ccco2)nc1CCOc1ccccc1C#N
InChIInChI=1S/C17H14N2O3/c1-12-14(19-17(22-12)16-7-4-9-20-16)8-10-21-15-6-3-2-5-13(15)11-18/h2-7,9H,8,10H2,1H3
InChIKeySQRLVWOFGYLGHK-UHFFFAOYSA-N
XLogP3.74
TPSA72.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methanol
CID 68886081
[1-cyano-5-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethyl]phenyl]pentyl] acetate
CID 19965633
5-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methyl-1,2,4-oxadiazole
CID 56783285
4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
CID 54399671
5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
CID 18003621
2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]benzonitrile
CID 61230235
4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432855
2-(furan-2-yl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25460901
2-[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propoxy]benzonitrile
CID 106922528
(E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol
CID 10925882
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile (CID 23176295) is 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile is Cc1oc(-c2ccco2)nc1CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile?
The InChIKey is SQRLVWOFGYLGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-14(19-17(22-12)16-7-4-9-20-16)8-10-21-15-6-3-2-5-13(15)11-18/h2-7,9H,8,10H2,1H3.
What are the key properties of 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile?
2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile has a molecular weight of 294.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile is sourced from PubChem (CID 23176295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).