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

C16H11NO3S — CID 576756

IUPAC(4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(C(=O)c2nocc2C(=O)c2cccs2)cc1
InChIInChI=1S/C16H11NO3S/c1-10-4-6-11(7-5-10)15(18)14-12(9-20-17-14)16(19)13-3-2-8-21-13/h2-9H,1H3
InChIKeyQWSPUABOZDJGKO-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.51
Rot. Bonds4

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

(4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone (PubChem CID 576756) has the molecular formula C16H11NO3S and a molecular weight of 297.33 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
PubChem CID576756
Molecular FormulaC16H11NO3S
Molecular Weight297.33 g/mol
Exact Mass297.05
IUPAC Name(4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(C(=O)c2nocc2C(=O)c2cccs2)cc1
InChIInChI=1S/C16H11NO3S/c1-10-4-6-11(7-5-10)15(18)14-12(9-20-17-14)16(19)13-3-2-8-21-13/h2-9H,1H3
InChIKeyQWSPUABOZDJGKO-UHFFFAOYSA-N
XLogP3.51
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone (CID 576756) is (4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone is Cc1ccc(C(=O)c2nocc2C(=O)c2cccs2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is QWSPUABOZDJGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3S/c1-10-4-6-11(7-5-10)15(18)14-12(9-20-17-14)16(19)13-3-2-8-21-13/h2-9H,1H3.
What are the key properties of (4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
(4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 297.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 576756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).