N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C19H14N2O5 — CID 46271776

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1noc2c1COc1ccccc1-2
InChIInChI=1S/C19H14N2O5/c22-19(20-8-11-5-6-15-16(7-11)25-10-24-15)17-13-9-23-14-4-2-1-3-12(14)18(13)26-21-17/h1-7H,8-10H2,(H,20,22)
InChIKeyPQYDMQUUACSQEA-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.89
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46271776) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46271776
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1noc2c1COc1ccccc1-2
InChIInChI=1S/C19H14N2O5/c22-19(20-8-11-5-6-15-16(7-11)25-10-24-15)17-13-9-23-14-4-2-1-3-12(14)18(13)26-21-17/h1-7H,8-10H2,(H,20,22)
InChIKeyPQYDMQUUACSQEA-UHFFFAOYSA-N
XLogP2.89
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273683
N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271745
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764346
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691869
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
2-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3597833
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170790
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23767437

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46271776) is N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1noc2c1COc1ccccc1-2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is PQYDMQUUACSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-19(20-8-11-5-6-15-16(7-11)25-10-24-15)17-13-9-23-14-4-2-1-3-12(14)18(13)26-21-17/h1-7H,8-10H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46271776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).