2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole

C13H14ClNO3 — CID 116864869

IUPAC2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole
SMILESCCOc1cnc(-c2cc(Cl)c(C)cc2OC)o1
InChIInChI=1S/C13H14ClNO3/c1-4-17-12-7-15-13(18-12)9-6-10(14)8(2)5-11(9)16-3/h5-7H,4H2,1-3H3
InChIKeyBWBYKATYESRDCL-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.71
Rot. Bonds4

About 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole

2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole (PubChem CID 116864869) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole
PubChem CID116864869
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole
SMILESCCOc1cnc(-c2cc(Cl)c(C)cc2OC)o1
InChIInChI=1S/C13H14ClNO3/c1-4-17-12-7-15-13(18-12)9-6-10(14)8(2)5-11(9)16-3/h5-7H,4H2,1-3H3
InChIKeyBWBYKATYESRDCL-UHFFFAOYSA-N
XLogP3.71
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole
CID 116864942
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82487457
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
4-(5-chloro-2-methoxy-4-methylphenyl)-5-methylthiophen-2-amine
CID 82487478
5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(5-ethoxy-1,3-oxazol-2-yl)-3-fluoropyridin-4-amine
CID 163364029
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole?
The IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole (CID 116864869) is 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole is CCOc1cnc(-c2cc(Cl)c(C)cc2OC)o1.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole?
The InChIKey is BWBYKATYESRDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-4-17-12-7-15-13(18-12)9-6-10(14)8(2)5-11(9)16-3/h5-7H,4H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole?
2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole has a molecular weight of 267.71 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole is sourced from PubChem (CID 116864869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).