2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C19H21N5O2S — CID 653427

IUPAC2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12
InChIInChI=1S/C19H21N5O2S/c1-12-17(24-26-23-12)21-16(25)11-27-19-14-9-5-6-10-15(14)20-18(22-19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,21,24,25)
InChIKeyMBMXLACYDMNHQW-UHFFFAOYSA-N
MW383.48 g/mol
LogP4.10
Rot. Bonds5

About 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 653427) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID653427
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12
InChIInChI=1S/C19H21N5O2S/c1-12-17(24-26-23-12)21-16(25)11-27-19-14-9-5-6-10-15(14)20-18(22-19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,21,24,25)
InChIKeyMBMXLACYDMNHQW-UHFFFAOYSA-N
XLogP4.10
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 653427) is 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is MBMXLACYDMNHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-17(24-26-23-12)21-16(25)11-27-19-14-9-5-6-10-15(14)20-18(22-19)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,21,24,25).
What are the key properties of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 383.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 653427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).