[3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone

C15H11NO3S — CID 134999400

IUPAC[3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2nocc2C(=O)c2cccs2)cc1
InChIInChI=1S/C15H11NO3S/c1-18-11-6-4-10(5-7-11)14-12(9-19-16-14)15(17)13-3-2-8-20-13/h2-9H,1H3
InChIKeyFWNWZJWHPFELFH-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.64
Rot. Bonds4

About [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone

[3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone (PubChem CID 134999400) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone
PubChem CID134999400
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name[3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2nocc2C(=O)c2cccs2)cc1
InChIInChI=1S/C15H11NO3S/c1-18-11-6-4-10(5-7-11)14-12(9-19-16-14)15(17)13-3-2-8-20-13/h2-9H,1H3
InChIKeyFWNWZJWHPFELFH-UHFFFAOYSA-N
XLogP3.64
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone (CID 134999400) is [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone is COc1ccc(-c2nocc2C(=O)c2cccs2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone?
The InChIKey is FWNWZJWHPFELFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-18-11-6-4-10(5-7-11)14-12(9-19-16-14)15(17)13-3-2-8-20-13/h2-9H,1H3.
What are the key properties of [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone?
[3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone has a molecular weight of 285.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 134999400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).