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

C19H21ClN2O2 — CID 59295428

IUPAC2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile
SMILESCc1nc(C2(C)CCCCC2)oc1COc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-17(12-23-15-7-6-14(11-21)16(20)10-15)24-18(22-13)19(2)8-4-3-5-9-19/h6-7,10H,3-5,8-9,12H2,1-2H3
InChIKeyKOVTXGLUPZUGPH-UHFFFAOYSA-N
MW344.84 g/mol
LogP5.31
Rot. Bonds4

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

2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile (PubChem CID 59295428) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile
PubChem CID59295428
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile
SMILESCc1nc(C2(C)CCCCC2)oc1COc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-17(12-23-15-7-6-14(11-21)16(20)10-15)24-18(22-13)19(2)8-4-3-5-9-19/h6-7,10H,3-5,8-9,12H2,1-2H3
InChIKeyKOVTXGLUPZUGPH-UHFFFAOYSA-N
XLogP5.31
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.84
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile (CID 59295428) is 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile is Cc1nc(C2(C)CCCCC2)oc1COc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile?
The InChIKey is KOVTXGLUPZUGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-17(12-23-15-7-6-14(11-21)16(20)10-15)24-18(22-13)19(2)8-4-3-5-9-19/h6-7,10H,3-5,8-9,12H2,1-2H3.
What are the key properties of 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile?
2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile has a molecular weight of 344.84 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile is sourced from PubChem (CID 59295428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).