3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole

C42H31N7O2S — CID 141317428

IUPAC3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole
SMILESc1ccc(C2(c3ccco3)C(c3ccn[nH]3)C(c3ccon3)=C(c3ncc[nH]3)N(c3ccc[nH]3)C2(c2cccs2)c2cccc3ccccc23)cc1
InChIInChI=1S/C42H31N7O2S/c1-2-12-29(13-3-1)41(34-16-8-25-50-34)38(33-19-22-46-47-33)37(32-20-26-51-48-32)39(40-44-23-24-45-40)49(36-18-7-21-43-36)42(41,35-17-9-27-52-35)31-15-6-11-28-10-4-5-14-30(28)31/h1-27,38,43H,(H,44,45)(H,46,47)
InChIKeyDSCLNAJDAQFVKD-UHFFFAOYSA-N
MW697.82 g/mol
LogP9.36
Rot. Bonds8

About 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole

3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole (PubChem CID 141317428) has the molecular formula C42H31N7O2S and a molecular weight of 697.82 g/mol. Its IUPAC name is 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole
PubChem CID141317428
Molecular FormulaC42H31N7O2S
Molecular Weight697.82 g/mol
Exact Mass697.23
IUPAC Name3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole
SMILESc1ccc(C2(c3ccco3)C(c3ccn[nH]3)C(c3ccon3)=C(c3ncc[nH]3)N(c3ccc[nH]3)C2(c2cccs2)c2cccc3ccccc23)cc1
InChIInChI=1S/C42H31N7O2S/c1-2-12-29(13-3-1)41(34-16-8-25-50-34)38(33-19-22-46-47-33)37(32-20-26-51-48-32)39(40-44-23-24-45-40)49(36-18-7-21-43-36)42(41,35-17-9-27-52-35)31-15-6-11-28-10-4-5-14-30(28)31/h1-27,38,43H,(H,44,45)(H,46,47)
InChIKeyDSCLNAJDAQFVKD-UHFFFAOYSA-N
XLogP9.36
TPSA115.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.82
LogP ≤ 59.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole with MolForge

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Related Compounds

2-[6-benzyl-6-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 140986989
2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
CID 140989081
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine
CID 140998023
4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
CID 141002534
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine
CID 141024630
3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine
CID 141024631
2-[7-(furan-2-yl)-1-(1H-indol-2-yl)-3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-ylisoindol-2-yl]-1,3-oxazole
CID 141049907
2-[5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 141051882
3-[5-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2-oxazolidin-3-yl]-1,2,5-oxadiazole
CID 141061474
3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole
CID 141066949
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole
CID 141072642
2-[1-(furan-2-yl)-4-naphthalen-1-yl-5-(2H-pyran-2-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]pyrazine
CID 141196746

Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole?
The IUPAC name of 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole (CID 141317428) is 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole is c1ccc(C2(c3ccco3)C(c3ccn[nH]3)C(c3ccon3)=C(c3ncc[nH]3)N(c3ccc[nH]3)C2(c2cccs2)c2cccc3ccccc23)cc1.
What is the InChIKey of 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole?
The InChIKey is DSCLNAJDAQFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N7O2S/c1-2-12-29(13-3-1)41(34-16-8-25-50-34)38(33-19-22-46-47-33)37(32-20-26-51-48-32)39(40-44-23-24-45-40)49(36-18-7-21-43-36)42(41,35-17-9-27-52-35)31-15-6-11-28-10-4-5-14-30(28)31/h1-27,38,43H,(H,44,45)(H,46,47).
What are the key properties of 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole?
3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole has a molecular weight of 697.82 g/mol, XLogP of 9.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-naphthalen-1-yl-5-phenyl-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-6-thiophen-2-yl-4H-pyridin-3-yl]-1,2-oxazole is sourced from PubChem (CID 141317428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).