benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate

C19H21NO3 — CID 10990571

IUPACbenzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate
SMILESCc1oc(C2=CCCCC2)nc1CC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-14-17(20-19(23-14)16-10-6-3-7-11-16)12-18(21)22-13-15-8-4-2-5-9-15/h2,4-5,8-10H,3,6-7,11-13H2,1H3
InChIKeyWSOONSIJQCWJNL-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.23
Rot. Bonds5

About benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate

benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate (PubChem CID 10990571) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate
PubChem CID10990571
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate
SMILESCc1oc(C2=CCCCC2)nc1CC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-14-17(20-19(23-14)16-10-6-3-7-11-16)12-18(21)22-13-15-8-4-2-5-9-15/h2,4-5,8-10H,3,6-7,11-13H2,1H3
InChIKeyWSOONSIJQCWJNL-UHFFFAOYSA-N
XLogP4.23
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 33283682
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-3-phenylpropanoic acid
CID 86589768
benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate
CID 140798878
ethyl 2-[4-[[2-(cyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]phenyl]acetate
CID 159936269
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 102525602
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
benzyl 2-(5-methylfuran-3-yl)acetate
CID 134443184
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55505433
2-[5-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883808

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate?
The IUPAC name of benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate (CID 10990571) is benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate is Cc1oc(C2=CCCCC2)nc1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate?
The InChIKey is WSOONSIJQCWJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-17(20-19(23-14)16-10-6-3-7-11-16)12-18(21)22-13-15-8-4-2-5-9-15/h2,4-5,8-10H,3,6-7,11-13H2,1H3.
What are the key properties of benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate?
benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate has a molecular weight of 311.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 10990571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).