2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

C19H16N4OS — CID 7627765

IUPAC2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc(S[C@H](C)c2nnc(-c3ccccc3)o2)c2ccccc2n1
InChIInChI=1S/C19H16N4OS/c1-12(17-22-23-18(24-17)14-8-4-3-5-9-14)25-19-15-10-6-7-11-16(15)20-13(2)21-19/h3-12H,1-2H3/t12-/m1/s1
InChIKeyKTLYWXCVCHXKBG-GFCCVEGCSA-N
MW348.43 g/mol
LogP4.84
Rot. Bonds4

About 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 7627765) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID7627765
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc(S[C@H](C)c2nnc(-c3ccccc3)o2)c2ccccc2n1
InChIInChI=1S/C19H16N4OS/c1-12(17-22-23-18(24-17)14-8-4-3-5-9-14)25-19-15-10-6-7-11-16(15)20-13(2)21-19/h3-12H,1-2H3/t12-/m1/s1
InChIKeyKTLYWXCVCHXKBG-GFCCVEGCSA-N
XLogP4.84
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092
2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 30091775
2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 8954336
2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7630290
2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 7628835
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
3-(3,5-dimethylphenyl)-2-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]quinazolin-4-one
CID 55384871
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40510123
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (CID 7627765) is 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is Cc1nc(S[C@H](C)c2nnc(-c3ccccc3)o2)c2ccccc2n1.
What is the InChIKey of 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KTLYWXCVCHXKBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12(17-22-23-18(24-17)14-8-4-3-5-9-14)25-19-15-10-6-7-11-16(15)20-13(2)21-19/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 348.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 7627765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).