3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole

C13H16ClNO3 — CID 144746972

IUPAC3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2cc(Cl)c(OC)cc2OC)=NO1
InChIInChI=1S/C13H16ClNO3/c1-4-8-5-11(15-18-8)9-6-10(14)13(17-3)7-12(9)16-2/h6-8H,4-5H2,1-3H3
InChIKeyMWVRLRRRZRJIEN-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.26
Rot. Bonds4

About 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole

3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole (PubChem CID 144746972) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
PubChem CID144746972
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2cc(Cl)c(OC)cc2OC)=NO1
InChIInChI=1S/C13H16ClNO3/c1-4-8-5-11(15-18-8)9-6-10(14)13(17-3)7-12(9)16-2/h6-8H,4-5H2,1-3H3
InChIKeyMWVRLRRRZRJIEN-UHFFFAOYSA-N
XLogP3.26
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7373904
(5S)-3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7373745
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2973618
(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1251909
[3-(5-chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2975347
2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol
CID 136652954
(5R)-3-(5-chloro-2,4-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1249890
[3-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 102555158
2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]oxirane
CID 83943345
[3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
CID 136727651
(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562323
3-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzonitrile
CID 138691686

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole (CID 144746972) is 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole is CCC1CC(c2cc(Cl)c(OC)cc2OC)=NO1.
What is the InChIKey of 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is MWVRLRRRZRJIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-4-8-5-11(15-18-8)9-6-10(14)13(17-3)7-12(9)16-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 269.73 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 144746972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).