ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate

C18H18ClN3O3 — CID 10926471

IUPACethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate
SMILESCCOC(=O)CCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-3-24-16(23)9-8-15-17(13-4-6-14(19)7-5-13)21-18(25-15)22-11-10-20-12(22)2/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyVSFXDIMORLPRRV-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.98
Rot. Bonds6

About ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate

ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate (PubChem CID 10926471) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate
PubChem CID10926471
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Nameethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate
SMILESCCOC(=O)CCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-3-24-16(23)9-8-15-17(13-4-6-14(19)7-5-13)21-18(25-15)22-11-10-20-12(22)2/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyVSFXDIMORLPRRV-UHFFFAOYSA-N
XLogP3.98
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate?
The IUPAC name of ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate (CID 10926471) is ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate is CCOC(=O)CCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate?
The InChIKey is VSFXDIMORLPRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-3-24-16(23)9-8-15-17(13-4-6-14(19)7-5-13)21-18(25-15)22-11-10-20-12(22)2/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate?
ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate has a molecular weight of 359.81 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]propanoate is sourced from PubChem (CID 10926471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).