N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C18H14N2O3S — CID 46271788

IUPACN-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCSc1cccc(NC(=O)c2noc3c2COc2ccccc2-3)c1
InChIInChI=1S/C18H14N2O3S/c1-24-12-6-4-5-11(9-12)19-18(21)16-14-10-22-15-8-3-2-7-13(15)17(14)23-20-16/h2-9H,10H2,1H3,(H,19,21)
InChIKeyAOXKLXOUZAFNNW-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.21
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46271788) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46271788
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC NameN-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCSc1cccc(NC(=O)c2noc3c2COc2ccccc2-3)c1
InChIInChI=1S/C18H14N2O3S/c1-24-12-6-4-5-11(9-12)19-18(21)16-14-10-22-15-8-3-2-7-13(15)17(14)23-20-16/h2-9H,10H2,1H3,(H,19,21)
InChIKeyAOXKLXOUZAFNNW-UHFFFAOYSA-N
XLogP4.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271796
8-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273627
N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254512
8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273621
N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271728
N-cyclopentyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 53003547
N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273744
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271769
5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide
CID 167989756
N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253243

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46271788) is N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is CSc1cccc(NC(=O)c2noc3c2COc2ccccc2-3)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is AOXKLXOUZAFNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-24-12-6-4-5-11(9-12)19-18(21)16-14-10-22-15-8-3-2-7-13(15)17(14)23-20-16/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46271788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).