2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole

C20H20N2O2S2 — CID 134386675

IUPAC2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(CCC(C)c3ccc(-c4ocnc4C)s3)o2)s1
InChIInChI=1S/C20H20N2O2S2/c1-12(16-7-8-18(26-16)20-14(3)22-11-23-20)4-9-19-21-10-15(24-19)17-6-5-13(2)25-17/h5-8,10-12H,4,9H2,1-3H3
InChIKeyUSWOUWLYNJYAMS-UHFFFAOYSA-N
MW384.53 g/mol
LogP6.47
Rot. Bonds6

About 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole

2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole (PubChem CID 134386675) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole
PubChem CID134386675
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC Name2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(CCC(C)c3ccc(-c4ocnc4C)s3)o2)s1
InChIInChI=1S/C20H20N2O2S2/c1-12(16-7-8-18(26-16)20-14(3)22-11-23-20)4-9-19-21-10-15(24-19)17-6-5-13(2)25-17/h5-8,10-12H,4,9H2,1-3H3
InChIKeyUSWOUWLYNJYAMS-UHFFFAOYSA-N
XLogP6.47
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole?
The IUPAC name of 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole (CID 134386675) is 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole is Cc1ccc(-c2cnc(CCC(C)c3ccc(-c4ocnc4C)s3)o2)s1.
What is the InChIKey of 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole?
The InChIKey is USWOUWLYNJYAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-12(16-7-8-18(26-16)20-14(3)22-11-23-20)4-9-19-21-10-15(24-19)17-6-5-13(2)25-17/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole?
2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole has a molecular weight of 384.53 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 134386675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).