N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide

C14H10N2O3S — CID 699992

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3c(=O)s2)no1
InChIInChI=1S/C14H10N2O3S/c1-8-6-12(16-19-8)15-13(17)11-7-9-4-2-3-5-10(9)14(18)20-11/h2-7H,1H3,(H,15,16,17)
InChIKeyHQDQPHGBQIPTCG-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.81
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide (PubChem CID 699992) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide
PubChem CID699992
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3c(=O)s2)no1
InChIInChI=1S/C14H10N2O3S/c1-8-6-12(16-19-8)15-13(17)11-7-9-4-2-3-5-10(9)14(18)20-11/h2-7H,1H3,(H,15,16,17)
InChIKeyHQDQPHGBQIPTCG-UHFFFAOYSA-N
XLogP2.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Soretolide
CID 198730
4-tert-butyl-N-(5-methyl-3-isoxazolyl)benzamide
CID 670749
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CID 569560
3-(5-Methyl-1,2-oxazol-3-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924386
N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
CID 739602
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
CID 889538
4-[(cyclopropylcarbonyl)amino]-N-(5-methyl-3-isoxazolyl)benzamide
CID 934489
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498562
2-(2-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6465012
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2292954

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide (CID 699992) is N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide is Cc1cc(NC(=O)c2cc3ccccc3c(=O)s2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide?
The InChIKey is HQDQPHGBQIPTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-8-6-12(16-19-8)15-13(17)11-7-9-4-2-3-5-10(9)14(18)20-11/h2-7H,1H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide is sourced from PubChem (CID 699992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).