2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

C23H18N4O2S — CID 30091775

IUPAC2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H](C)Sc3nc(-c4ccco4)nc4ccccc34)o2)cc1
InChIInChI=1S/C23H18N4O2S/c1-14-9-11-16(12-10-14)22-27-26-21(29-22)15(2)30-23-17-6-3-4-7-18(17)24-20(25-23)19-8-5-13-28-19/h3-13,15H,1-2H3/t15-/m0/s1
InChIKeyUUIGHSSRKFSZQK-HNNXBMFYSA-N
MW414.49 g/mol
LogP6.10
Rot. Bonds5

About 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 30091775) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID30091775
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H](C)Sc3nc(-c4ccco4)nc4ccccc34)o2)cc1
InChIInChI=1S/C23H18N4O2S/c1-14-9-11-16(12-10-14)22-27-26-21(29-22)15(2)30-23-17-6-3-4-7-18(17)24-20(25-23)19-8-5-13-28-19/h3-13,15H,1-2H3/t15-/m0/s1
InChIKeyUUIGHSSRKFSZQK-HNNXBMFYSA-N
XLogP6.10
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7627765
2-[1-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55391972
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide
CID 17444347
2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092
2-[(1R)-1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7629926
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807804
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-(4-methylphenyl)-5-[(1S)-1-pyridin-2-ylsulfanylethyl]-1,3,4-oxadiazole
CID 51928517
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 24585570
3-(2,4-difluorophenyl)-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]quinazolin-4-one
CID 46824343

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 30091775) is 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc([C@H](C)Sc3nc(-c4ccco4)nc4ccccc34)o2)cc1.
What is the InChIKey of 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is UUIGHSSRKFSZQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-14-9-11-16(12-10-14)22-27-26-21(29-22)15(2)30-23-17-6-3-4-7-18(17)24-20(25-23)19-8-5-13-28-19/h3-13,15H,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 414.49 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 30091775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).