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

C18H12N2O3S — CID 59384744

IUPAC2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid
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)
InChIKeyNPOIOGMAUQZYER-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.25
Rot. Bonds4

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

2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid (PubChem CID 59384744) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid
PubChem CID59384744
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC Name2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid
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)
InChIKeyNPOIOGMAUQZYER-UHFFFAOYSA-N
XLogP4.25
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 59384743
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-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid
CID 59384609
2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 59385100
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 45254028
2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 13105454
2-[5-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylphenyl)-1,3-oxazol-4-yl]acetic acid
CID 59385022
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019

Frequently Asked Questions

What is the IUPAC name of 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid (CID 59384744) is 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid 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)acetic acid?
The InChIKey is NPOIOGMAUQZYER-UHFFFAOYSA-N. 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).
What are the key properties of 2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid?
2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid has a molecular weight of 336.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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)acetic acid is sourced from PubChem (CID 59384744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).