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

C16H12ClNO3S — CID 13105438

IUPACmethyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1
InChIInChI=1S/C16H12ClNO3S/c1-20-14(19)8-13-15(11-6-7-22-9-11)21-16(18-13)10-2-4-12(17)5-3-10/h2-7,9H,8H2,1H3
InChIKeyAUZNZZCZIZTELU-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.44
Rot. Bonds4

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

methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate (PubChem CID 13105438) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
PubChem CID13105438
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Namemethyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1
InChIInChI=1S/C16H12ClNO3S/c1-20-14(19)8-13-15(11-6-7-22-9-11)21-16(18-13)10-2-4-12(17)5-3-10/h2-7,9H,8H2,1H3
InChIKeyAUZNZZCZIZTELU-UHFFFAOYSA-N
XLogP4.44
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.44
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
2-{[2-(2-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(thiophen-2-YL)methyl]acetamide
CID 9550785
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-(2-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methyl}sulfanyl)acetic acid
CID 6624341
1-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]-N-(2-thenyl)isonipecotamide
CID 9550965
({[2-(3-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetic acid
CID 9551422
5-[2-[(4-Chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-phenyl-1,3-oxazole
CID 137647330
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate (CID 13105438) is methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate is COC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1.
What is the InChIKey of methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is AUZNZZCZIZTELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c1-20-14(19)8-13-15(11-6-7-22-9-11)21-16(18-13)10-2-4-12(17)5-3-10/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 333.80 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 13105438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).