2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole

C17H12N4O3S — CID 140977813

IUPAC2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole
SMILESc1coc(N2OC(c3cccs3)=C(c3ccn[nH]3)C2c2ncco2)c1
InChIInChI=1S/C17H12N4O3S/c1-4-13(22-8-1)21-15(17-18-7-9-23-17)14(11-5-6-19-20-11)16(24-21)12-3-2-10-25-12/h1-10,15H,(H,19,20)
InChIKeyPFPOAKHAQPSYKQ-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.11
Rot. Bonds4

About 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole

2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole (PubChem CID 140977813) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole
PubChem CID140977813
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC Name2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole
SMILESc1coc(N2OC(c3cccs3)=C(c3ccn[nH]3)C2c2ncco2)c1
InChIInChI=1S/C17H12N4O3S/c1-4-13(22-8-1)21-15(17-18-7-9-23-17)14(11-5-6-19-20-11)16(24-21)12-3-2-10-25-12/h1-10,15H,(H,19,20)
InChIKeyPFPOAKHAQPSYKQ-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 53618308
4-[[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 56780474
2-(4-methylpyrazol-1-yl)-N,N-bis[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 53623450
2-(6,6-Dithiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 21929521
2-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21929577
5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole
CID 91424584
5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3-(triazin-4-yl)-1,2-oxazole
CID 140978070
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 141039475
5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-1,2-oxazole
CID 141060256
2-[3-(furan-2-yl)-4-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]pyridine
CID 141203638
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 157403668
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;bis(4-tert-butyl-1,2-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 161655990

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole?
The IUPAC name of 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole (CID 140977813) is 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole.
What is the SMILES notation for 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole?
The canonical SMILES for 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole is c1coc(N2OC(c3cccs3)=C(c3ccn[nH]3)C2c2ncco2)c1.
What is the InChIKey of 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole?
The InChIKey is PFPOAKHAQPSYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c1-4-13(22-8-1)21-15(17-18-7-9-23-17)14(11-5-6-19-20-11)16(24-21)12-3-2-10-25-12/h1-10,15H,(H,19,20).
What are the key properties of 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole?
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole has a molecular weight of 352.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole is sourced from PubChem (CID 140977813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).