ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate

C17H14ClNO3S — CID 13105453

IUPACethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cccc(Cl)c2)oc1-c1ccsc1
InChIInChI=1S/C17H14ClNO3S/c1-2-21-15(20)9-14-16(12-6-7-23-10-12)22-17(19-14)11-4-3-5-13(18)8-11/h3-8,10H,2,9H2,1H3
InChIKeyHHKFWNQOMPOCNZ-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.83
Rot. Bonds5

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

ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate (PubChem CID 13105453) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
PubChem CID13105453
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Nameethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cccc(Cl)c2)oc1-c1ccsc1
InChIInChI=1S/C17H14ClNO3S/c1-2-21-15(20)9-14-16(12-6-7-23-10-12)22-17(19-14)11-4-3-5-13(18)8-11/h3-8,10H,2,9H2,1H3
InChIKeyHHKFWNQOMPOCNZ-UHFFFAOYSA-N
XLogP4.83
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(thiophen-2-YL)methyl]acetamide
CID 9550453
4-(5-Chloro-thiophen-2-yl)-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 11725645
4-[4-(5-Chloro-thiophen-2-yl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 15871000
4-Oxazoleacetic acid, 2-(p-fluorophenyl)-5-(3-thienyl)-
CID 3069787
({[2-(2-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetic acid
CID 6624341
({[2-(3-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetic acid
CID 9551422
5-[2-[(3-Chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-phenyl-1,3-oxazole
CID 137658362
5-(5-Chloro-thiophen-2-yl)-4-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 15429226
Ethyl 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetate
CID 5309086
N-butyl-5-(4-chlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 53382908
Ethyl 2-[2-(4-fluorophenyl)-5-(3-thienyl)-4-oxazolyl]acetate
CID 13105435
Ethyl 2-[2-phenyl-5-(3-thienyl)-4-oxazolyl]acetate
CID 13105436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate (CID 13105453) is ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2cccc(Cl)c2)oc1-c1ccsc1.
What is the InChIKey of ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is HHKFWNQOMPOCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c1-2-21-15(20)9-14-16(12-6-7-23-10-12)22-17(19-14)11-4-3-5-13(18)8-11/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 347.82 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 13105453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).