(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone

C16H11NO4S — CID 723684

IUPAC(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2nocc2C(=O)c2cccs2)cc1
InChIInChI=1S/C16H11NO4S/c1-20-11-6-4-10(5-7-11)15(18)14-12(9-21-17-14)16(19)13-3-2-8-22-13/h2-9H,1H3
InChIKeyKYUQHFTUFNWEFH-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.21
Rot. Bonds5

About (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone

(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone (PubChem CID 723684) has the molecular formula C16H11NO4S and a molecular weight of 313.33 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
PubChem CID723684
Molecular FormulaC16H11NO4S
Molecular Weight313.33 g/mol
Exact Mass313.04
IUPAC Name(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2nocc2C(=O)c2cccs2)cc1
InChIInChI=1S/C16H11NO4S/c1-20-11-6-4-10(5-7-11)15(18)14-12(9-21-17-14)16(19)13-3-2-8-22-13/h2-9H,1H3
InChIKeyKYUQHFTUFNWEFH-UHFFFAOYSA-N
XLogP3.21
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone (CID 723684) is (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone is COc1ccc(C(=O)c2nocc2C(=O)c2cccs2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is KYUQHFTUFNWEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4S/c1-20-11-6-4-10(5-7-11)15(18)14-12(9-21-17-14)16(19)13-3-2-8-22-13/h2-9H,1H3.
What are the key properties of (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 313.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 723684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).