4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C19H14N2O4S — CID 3719872

IUPAC4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2)no1
InChIInChI=1S/C19H14N2O4S/c1-11-10-14(20-25-11)21-16(12-6-3-2-4-7-12)15(18(23)19(21)24)17(22)13-8-5-9-26-13/h2-10,16,23H,1H3
InChIKeyJINOZBDFMNSJNX-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.83
Rot. Bonds4

About 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3719872) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3719872
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2)no1
InChIInChI=1S/C19H14N2O4S/c1-11-10-14(20-25-11)21-16(12-6-3-2-4-7-12)15(18(23)19(21)24)17(22)13-8-5-9-26-13/h2-10,16,23H,1H3
InChIKeyJINOZBDFMNSJNX-UHFFFAOYSA-N
XLogP3.83
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 3719872) is 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2)no1.
What is the InChIKey of 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is JINOZBDFMNSJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-11-10-14(20-25-11)21-16(12-6-3-2-4-7-12)15(18(23)19(21)24)17(22)13-8-5-9-26-13/h2-10,16,23H,1H3.
What are the key properties of 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 366.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3719872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).