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

C12H12ClNO2 — CID 105499752

IUPAC2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCCc1oc(Cl)nc1-c1ccc(OC)cc1
InChIInChI=1S/C12H12ClNO2/c1-3-10-11(14-12(13)16-10)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3
InChIKeyWEWBQAGTPMAYGX-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.57
Rot. Bonds3

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

2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 105499752) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole
PubChem CID105499752
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCCc1oc(Cl)nc1-c1ccc(OC)cc1
InChIInChI=1S/C12H12ClNO2/c1-3-10-11(14-12(13)16-10)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3
InChIKeyWEWBQAGTPMAYGX-UHFFFAOYSA-N
XLogP3.57
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-2-amine
CID 105472325
2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
CID 54104212
2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole
CID 11111224
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-chloro-2-ethyl-6-(4-methoxyphenyl)-5-methylpyrimidine
CID 80975849
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole
CID 15446599
[5-ethyl-4-(3-methoxyphenyl)-1,3-oxazol-2-yl]methanol
CID 105492498
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole
CID 59430286
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate
CID 11099941

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole (CID 105499752) is 2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole is CCc1oc(Cl)nc1-c1ccc(OC)cc1.
What is the InChIKey of 2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is WEWBQAGTPMAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-3-10-11(14-12(13)16-10)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole?
2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 237.69 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 105499752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).