5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole

C17H12N2OS — CID 141222224

IUPAC5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(-c2oc(-c3ccc[nH]3)nc2-c2cccs2)cc1
InChIInChI=1S/C17H12N2OS/c1-2-6-12(7-3-1)16-15(14-9-5-11-21-14)19-17(20-16)13-8-4-10-18-13/h1-11,18H
InChIKeyPIOBZNYBMIBTKW-UHFFFAOYSA-N
MW292.36 g/mol
LogP5.07
Rot. Bonds3

About 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole

5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole (PubChem CID 141222224) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole
PubChem CID141222224
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole
SMILESc1ccc(-c2oc(-c3ccc[nH]3)nc2-c2cccs2)cc1
InChIInChI=1S/C17H12N2OS/c1-2-6-12(7-3-1)16-15(14-9-5-11-21-14)19-17(20-16)13-8-4-10-18-13/h1-11,18H
InChIKeyPIOBZNYBMIBTKW-UHFFFAOYSA-N
XLogP5.07
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1H-indol-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
CID 24235354
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-indole-2-carboxamide
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5-phenyl-N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)oxazole-2-carboxamide
CID 45511532
2-[2-(4-Fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine
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2-(4-Methylthieno[3,2-b]pyrrol-5-yl)-5-phenyl-1,3-oxazole
CID 156017924
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
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2-({[5-Methyl-2-(3-methylthiophen-2-YL)-1,3-oxazol-4-YL]methyl}sulfanyl)-N-[(pyridin-3-YL)methyl]acetamide
CID 20860341
N-[(5-Methylfuran-2-YL)methyl]-6-(thiophen-3-YL)pyridine-3-carboxamide
CID 53149702
1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 56662487
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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole (CID 141222224) is 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole is c1ccc(-c2oc(-c3ccc[nH]3)nc2-c2cccs2)cc1.
What is the InChIKey of 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole?
The InChIKey is PIOBZNYBMIBTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-2-6-12(7-3-1)16-15(14-9-5-11-21-14)19-17(20-16)13-8-4-10-18-13/h1-11,18H.
What are the key properties of 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole?
5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole has a molecular weight of 292.36 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 141222224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).