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

C19H16N2O5 — CID 46271728

IUPACN-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2noc3c2COc2ccccc2-3)c(OC)c1
InChIInChI=1S/C19H16N2O5/c1-23-11-7-8-14(16(9-11)24-2)20-19(22)17-13-10-25-15-6-4-3-5-12(15)18(13)26-21-17/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyLJVTXQXQPMWIPM-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.50
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46271728) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46271728
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2noc3c2COc2ccccc2-3)c(OC)c1
InChIInChI=1S/C19H16N2O5/c1-23-11-7-8-14(16(9-11)24-2)20-19(22)17-13-10-25-15-6-4-3-5-12(15)18(13)26-21-17/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyLJVTXQXQPMWIPM-UHFFFAOYSA-N
XLogP3.50
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516804
N-(2,4-dimethoxyphenyl)-N,8-dimethyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551069
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781
N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963534
2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 75488892
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517030
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46365271
N-(2,4-dimethoxyphenyl)phenazine-1-carboxamide
CID 16824395
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46271728) is N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is COc1ccc(NC(=O)c2noc3c2COc2ccccc2-3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is LJVTXQXQPMWIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-23-11-7-8-14(16(9-11)24-2)20-19(22)17-13-10-25-15-6-4-3-5-12(15)18(13)26-21-17/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46271728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).