2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole

C13H16ClNO3 — CID 14665480

IUPAC2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc(Cl)cc(C2=NC(C)(C)CO2)c1OC
InChIInChI=1S/C13H16ClNO3/c1-13(2)7-18-12(15-13)9-5-8(14)6-10(16-3)11(9)17-4/h5-6H,7H2,1-4H3
InChIKeyWOXJRRBXPVJIOR-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.91
Rot. Bonds3

About 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 14665480) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID14665480
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc(Cl)cc(C2=NC(C)(C)CO2)c1OC
InChIInChI=1S/C13H16ClNO3/c1-13(2)7-18-12(15-13)9-5-8(14)6-10(16-3)11(9)17-4/h5-6H,7H2,1-4H3
InChIKeyWOXJRRBXPVJIOR-UHFFFAOYSA-N
XLogP2.91
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 10890971
2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 123499622
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline
CID 129246923
2-(2-azido-4-chloro-3-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 14591299
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
2-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 58167759
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde
CID 12527052
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]acetaldehyde
CID 12701133
1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol
CID 19781583
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 24745290

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 14665480) is 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole is COc1cc(Cl)cc(C2=NC(C)(C)CO2)c1OC.
What is the InChIKey of 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is WOXJRRBXPVJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-13(2)7-18-12(15-13)9-5-8(14)6-10(16-3)11(9)17-4/h5-6H,7H2,1-4H3.
What are the key properties of 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 269.73 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 14665480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).