2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate

C18H10ClN2O3S- — CID 59384941

IUPAC2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate
SMILESO=C([O-])Cc1nc(-c2ccc3ccccc3n2)oc1-c1ccc(Cl)s1
InChIInChI=1S/C18H11ClN2O3S/c19-15-8-7-14(25-15)17-13(9-16(22)23)21-18(24-17)12-6-5-10-3-1-2-4-11(10)20-12/h1-8H,9H2,(H,22,23)/p-1
InChIKeyWQBMDRMCICSJPN-UHFFFAOYSA-M
MW369.81 g/mol
LogP3.56
Rot. Bonds4

About 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate

2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate (PubChem CID 59384941) has the molecular formula C18H10ClN2O3S- and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Name2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate
PubChem CID59384941
Molecular FormulaC18H10ClN2O3S-
Molecular Weight369.81 g/mol
Exact Mass369.01
IUPAC Name2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate
SMILESO=C([O-])Cc1nc(-c2ccc3ccccc3n2)oc1-c1ccc(Cl)s1
InChIInChI=1S/C18H11ClN2O3S/c19-15-8-7-14(25-15)17-13(9-16(22)23)21-18(24-17)12-6-5-10-3-1-2-4-11(10)20-12/h1-8H,9H2,(H,22,23)/p-1
InChIKeyWQBMDRMCICSJPN-UHFFFAOYSA-M
XLogP3.56
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate (CID 59384941) is 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate is O=C([O-])Cc1nc(-c2ccc3ccccc3n2)oc1-c1ccc(Cl)s1.
What is the InChIKey of 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is WQBMDRMCICSJPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H11ClN2O3S/c19-15-8-7-14(25-15)17-13(9-16(22)23)21-18(24-17)12-6-5-10-3-1-2-4-11(10)20-12/h1-8H,9H2,(H,22,23)/p-1.
What are the key properties of 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate?
2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 369.81 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 59384941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).