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

C17H16N4O3S — CID 142178629

IUPACethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cnc(N(C)C)nc2)oc1C1=C=C=CS1
InChIInChI=1S/C17H16N4O3S/c1-4-23-14(22)8-12-15(13-6-5-7-25-13)24-16(20-12)11-9-18-17(19-10-11)21(2)3/h7,9-10H,4,8H2,1-3H3
InChIKeyXGANTLFRBZURCD-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.66
Rot. Bonds6

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

ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate (PubChem CID 142178629) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
PubChem CID142178629
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Nameethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cnc(N(C)C)nc2)oc1C1=C=C=CS1
InChIInChI=1S/C17H16N4O3S/c1-4-23-14(22)8-12-15(13-6-5-7-25-13)24-16(20-12)11-9-18-17(19-10-11)21(2)3/h7,9-10H,4,8H2,1-3H3
InChIKeyXGANTLFRBZURCD-UHFFFAOYSA-N
XLogP2.66
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[5-(4-chloro-3-fluorophenyl)-2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-oxazol-4-yl]acetate
CID 59384662
ethyl 2-[2-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384723
ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 13105457
ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384964
ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
CID 59385171
ethyl 2-[2-(4-fluorophenyl)-5-(5-formyl-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetate
CID 59384959
ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
CID 13392297
ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
CID 14091134
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
2-[4-(5-chlorothiophen-2-yl)-2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-oxazol-5-yl]acetic acid
CID 59384944
ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate
CID 84820066

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate (CID 142178629) is ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2cnc(N(C)C)nc2)oc1C1=C=C=CS1.
What is the InChIKey of ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is XGANTLFRBZURCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-4-23-14(22)8-12-15(13-6-5-7-25-13)24-16(20-12)11-9-18-17(19-10-11)21(2)3/h7,9-10H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 356.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 142178629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).