N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide

C14H12N4O2S — CID 2607885

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ncnc3ccccc23)no1
InChIInChI=1S/C14H12N4O2S/c1-9-6-12(18-20-9)17-13(19)7-21-14-10-4-2-3-5-11(10)15-8-16-14/h2-6,8H,7H2,1H3,(H,17,18,19)
InChIKeyKDDOCAGTMUZHJD-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.66
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2607885) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2607885
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ncnc3ccccc23)no1
InChIInChI=1S/C14H12N4O2S/c1-9-6-12(18-20-9)17-13(19)7-21-14-10-4-2-3-5-11(10)15-8-16-14/h2-6,8H,7H2,1H3,(H,17,18,19)
InChIKeyKDDOCAGTMUZHJD-UHFFFAOYSA-N
XLogP2.66
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
Notum pectinacetylesterase-1
CID 859554
2-[2-(2-Cyclopentyl-ethyl)-quinazolin-4-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651643
N-(5-Methyl-isoxazol-3-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 653552
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide
CID 1442803
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 2567379
1-[2,5-Dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2608014
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208003
2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3208214
2-[[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 16030737
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]acetamide
CID 162675457

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide (CID 2607885) is N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide is Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is KDDOCAGTMUZHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-9-6-12(18-20-9)17-13(19)7-21-14-10-4-2-3-5-11(10)15-8-16-14/h2-6,8H,7H2,1H3,(H,17,18,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 300.34 g/mol, XLogP of 2.66, 4 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-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2607885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).