4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile

C13H11ClN2O3 — CID 114322679

IUPAC4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile
SMILESCOCc1cc(COc2cc(Cl)ccc2C#N)no1
InChIInChI=1S/C13H11ClN2O3/c1-17-8-12-5-11(16-19-12)7-18-13-4-10(14)3-2-9(13)6-15/h2-5H,7-8H2,1H3
InChIKeyFJTMJMTXGXOFDG-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.93
Rot. Bonds5

About 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile

4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile (PubChem CID 114322679) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile
PubChem CID114322679
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile
SMILESCOCc1cc(COc2cc(Cl)ccc2C#N)no1
InChIInChI=1S/C13H11ClN2O3/c1-17-8-12-5-11(16-19-12)7-18-13-4-10(14)3-2-9(13)6-15/h2-5H,7-8H2,1H3
InChIKeyFJTMJMTXGXOFDG-UHFFFAOYSA-N
XLogP2.93
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
CID 80707777
4-chloro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 80708725
4-chloro-2-ethoxybenzonitrile
CID 22721189
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
2-[(5-bromofuran-2-yl)methoxy]-4-chlorobenzonitrile
CID 113277284
2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid
CID 114322427
[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150560
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
2-chloro-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzaldehyde
CID 66156027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile?
The IUPAC name of 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile (CID 114322679) is 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile.
What is the SMILES notation for 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile?
The canonical SMILES for 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile is COCc1cc(COc2cc(Cl)ccc2C#N)no1.
What is the InChIKey of 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile?
The InChIKey is FJTMJMTXGXOFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-17-8-12-5-11(16-19-12)7-18-13-4-10(14)3-2-9(13)6-15/h2-5H,7-8H2,1H3.
What are the key properties of 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile?
4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile has a molecular weight of 278.70 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile is sourced from PubChem (CID 114322679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).