N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide

C17H18N4O2S — CID 653552

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
InChIInChI=1S/C17H18N4O2S/c1-3-6-14-18-13-8-5-4-7-12(13)17(20-14)24-10-16(22)19-15-9-11(2)23-21-15/h4-5,7-9H,3,6,10H2,1-2H3,(H,19,21,22)
InChIKeyMQSYQADINVVTLN-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.61
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide (PubChem CID 653552) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide
PubChem CID653552
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
InChIInChI=1S/C17H18N4O2S/c1-3-6-14-18-13-8-5-4-7-12(13)17(20-14)24-10-16(22)19-15-9-11(2)23-21-15/h4-5,7-9H,3,6,10H2,1-2H3,(H,19,21,22)
InChIKeyMQSYQADINVVTLN-UHFFFAOYSA-N
XLogP3.61
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2-Cyclopentyl-ethyl)-quinazolin-4-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651643
2-(2-Cyclohexyl-quinazolin-4-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 653427
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
Acetamide,2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)-
CID 1450291
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

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide (CID 653552) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide is CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is MQSYQADINVVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-6-14-18-13-8-5-4-7-12(13)17(20-14)24-10-16(22)19-15-9-11(2)23-21-15/h4-5,7-9H,3,6,10H2,1-2H3,(H,19,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 342.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 653552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).