2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H24N4O3S — CID 2608338

IUPAC2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O
InChIInChI=1S/C20H24N4O3S/c1-3-4-5-8-11-24-19(26)15-9-6-7-10-16(15)21-20(24)28-13-18(25)22-17-12-14(2)27-23-17/h6-7,9-10,12H,3-5,8,11,13H2,1-2H3,(H,22,23,25)
InChIKeyCMISAYDBUJHUDG-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.00
Rot. Bonds9

About 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2608338) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2608338
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O
InChIInChI=1S/C20H24N4O3S/c1-3-4-5-8-11-24-19(26)15-9-6-7-10-16(15)21-20(24)28-13-18(25)22-17-12-14(2)27-23-17/h6-7,9-10,12H,3-5,8,11,13H2,1-2H3,(H,22,23,25)
InChIKeyCMISAYDBUJHUDG-UHFFFAOYSA-N
XLogP4.00
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2608338) is 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CMISAYDBUJHUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-3-4-5-8-11-24-19(26)15-9-6-7-10-16(15)21-20(24)28-13-18(25)22-17-12-14(2)27-23-17/h6-7,9-10,12H,3-5,8,11,13H2,1-2H3,(H,22,23,25).
What are the key properties of 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2608338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).