2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate

C18H11N2O3S- — CID 59384743

IUPAC2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESO=C([O-])Cc1nc(-c2cc3ccccc3cn2)oc1-c1cccs1
InChIInChI=1S/C18H12N2O3S/c21-16(22)9-13-17(15-6-3-7-24-15)23-18(20-13)14-8-11-4-1-2-5-12(11)10-19-14/h1-8,10H,9H2,(H,21,22)/p-1
InChIKeyNPOIOGMAUQZYER-UHFFFAOYSA-M
MW335.36 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate

2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate (PubChem CID 59384743) has the molecular formula C18H11N2O3S- and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate
PubChem CID59384743
Molecular FormulaC18H11N2O3S-
Molecular Weight335.36 g/mol
Exact Mass335.05
IUPAC Name2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESO=C([O-])Cc1nc(-c2cc3ccccc3cn2)oc1-c1cccs1
InChIInChI=1S/C18H12N2O3S/c21-16(22)9-13-17(15-6-3-7-24-15)23-18(20-13)14-8-11-4-1-2-5-12(11)10-19-14/h1-8,10H,9H2,(H,21,22)/p-1
InChIKeyNPOIOGMAUQZYER-UHFFFAOYSA-M
XLogP2.91
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid
CID 59384744
2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384796
ethyl 2-[2-(2-methylphenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384964
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
2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
CID 59384579
2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate
CID 59385153
2-[5-(5-chlorothiophen-2-yl)-2-[4-(methylsulfanylmethyl)phenyl]-1,3-oxazol-4-yl]acetate
CID 59384707
N-(2-methyl-1-phenylpropyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627992
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenoxyethyl)acetamide
CID 32934772
2-naphthalen-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 16849310
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063

Frequently Asked Questions

What is the IUPAC name of 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate (CID 59384743) is 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate is O=C([O-])Cc1nc(-c2cc3ccccc3cn2)oc1-c1cccs1.
What is the InChIKey of 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is NPOIOGMAUQZYER-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H12N2O3S/c21-16(22)9-13-17(15-6-3-7-24-15)23-18(20-13)14-8-11-4-1-2-5-12(11)10-19-14/h1-8,10H,9H2,(H,21,22)/p-1.
What are the key properties of 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 335.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 59384743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).