2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C20H23N5O2S — CID 1451340

IUPAC2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc(CCC2CCCC2)nc2ccccc12
InChIInChI=1S/C20H23N5O2S/c1-13-19(25-27-24-13)23-18(26)12-28-20-15-8-4-5-9-16(15)21-17(22-20)11-10-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,23,25,26)
InChIKeyPHBLPXWBAAEPIC-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.17
Rot. Bonds7

About 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 1451340) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID1451340
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc(CCC2CCCC2)nc2ccccc12
InChIInChI=1S/C20H23N5O2S/c1-13-19(25-27-24-13)23-18(26)12-28-20-15-8-4-5-9-16(15)21-17(22-20)11-10-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,23,25,26)
InChIKeyPHBLPXWBAAEPIC-UHFFFAOYSA-N
XLogP4.17
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 1451340) is 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1NC(=O)CSc1nc(CCC2CCCC2)nc2ccccc12.
What is the InChIKey of 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is PHBLPXWBAAEPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-13-19(25-27-24-13)23-18(26)12-28-20-15-8-4-5-9-16(15)21-17(22-20)11-10-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,23,25,26).
What are the key properties of 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 1451340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).