N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide

C21H20N6O3S — CID 43027762

IUPACN-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCNc1nc(SCc2nc(CC(=O)Nc3ccccc3OC)no2)nc2ccccc12
InChIInChI=1S/C21H20N6O3S/c1-22-20-13-7-3-4-8-14(13)24-21(26-20)31-12-19-25-17(27-30-19)11-18(28)23-15-9-5-6-10-16(15)29-2/h3-10H,11-12H2,1-2H3,(H,23,28)(H,22,24,26)
InChIKeyOLCBRTFBHQCHSX-UHFFFAOYSA-N
MW436.50 g/mol
LogP3.54
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide

N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 43027762) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID43027762
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC NameN-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCNc1nc(SCc2nc(CC(=O)Nc3ccccc3OC)no2)nc2ccccc12
InChIInChI=1S/C21H20N6O3S/c1-22-20-13-7-3-4-8-14(13)24-21(26-20)31-12-19-25-17(27-30-19)11-18(28)23-15-9-5-6-10-16(15)29-2/h3-10H,11-12H2,1-2H3,(H,23,28)(H,22,24,26)
InChIKeyOLCBRTFBHQCHSX-UHFFFAOYSA-N
XLogP3.54
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
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N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
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2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16587947
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CID 51924806
N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
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2-[5-[[4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 4842918
2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
2-[5-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16586875
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 43027762) is N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide is CNc1nc(SCc2nc(CC(=O)Nc3ccccc3OC)no2)nc2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is OLCBRTFBHQCHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-22-20-13-7-3-4-8-14(13)24-21(26-20)31-12-19-25-17(27-30-19)11-18(28)23-15-9-5-6-10-16(15)29-2/h3-10H,11-12H2,1-2H3,(H,23,28)(H,22,24,26).
What are the key properties of N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 436.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 43027762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).