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

C21H24N4O2S — CID 651643

IUPAC2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(CCC3CCCC3)nc3ccccc23)no1
InChIInChI=1S/C21H24N4O2S/c1-14-12-19(25-27-14)23-20(26)13-28-21-16-8-4-5-9-17(16)22-18(24-21)11-10-15-6-2-3-7-15/h4-5,8-9,12,15H,2-3,6-7,10-11,13H2,1H3,(H,23,25,26)
InChIKeyBGSNRDWFRRFRDX-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.78
Rot. Bonds7

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

2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 651643) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID651643
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(CCC3CCCC3)nc3ccccc23)no1
InChIInChI=1S/C21H24N4O2S/c1-14-12-19(25-27-14)23-20(26)13-28-21-16-8-4-5-9-17(16)22-18(24-21)11-10-15-6-2-3-7-15/h4-5,8-9,12,15H,2-3,6-7,10-11,13H2,1H3,(H,23,25,26)
InChIKeyBGSNRDWFRRFRDX-UHFFFAOYSA-N
XLogP4.78
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

N-(5-Methyl-isoxazol-3-yl)-2-(3,7,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 857565
2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1433850
2-(2-Cyclohexyl-quinazolin-4-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 653427
N-(5-Methyl-isoxazol-3-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 653552
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 709545
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide
CID 1442803
2-(3-Cyano-5,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1450200
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 2567379
N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2607885
1-[2,5-Dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2608014
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 2612492

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 651643) is 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc(CCC3CCCC3)nc3ccccc23)no1.
What is the InChIKey of 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BGSNRDWFRRFRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-12-19(25-27-14)23-20(26)13-28-21-16-8-4-5-9-17(16)22-18(24-21)11-10-15-6-2-3-7-15/h4-5,8-9,12,15H,2-3,6-7,10-11,13H2,1H3,(H,23,25,26).
What are the key properties of 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 396.52 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopentylethyl)quinazolin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 651643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).