N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C16H11N3O3 — CID 46271796

IUPACN-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1noc2c1COc1ccccc1-2
InChIInChI=1S/C16H11N3O3/c20-16(18-10-4-3-7-17-8-10)14-12-9-21-13-6-2-1-5-11(13)15(12)22-19-14/h1-8H,9H2,(H,18,20)
InChIKeyLQBSJQLPBFSWCJ-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.88
Rot. Bonds2

About N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46271796) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46271796
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC NameN-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1noc2c1COc1ccccc1-2
InChIInChI=1S/C16H11N3O3/c20-16(18-10-4-3-7-17-8-10)14-12-9-21-13-6-2-1-5-11(13)15(12)22-19-14/h1-8H,9H2,(H,18,20)
InChIKeyLQBSJQLPBFSWCJ-UHFFFAOYSA-N
XLogP2.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 53003547
N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271728
7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 6621302
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-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
2-(2-cyanophenyl)-N-pyridin-3-ylbenzamide
CID 51255858
1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 6625709
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
6-amino-N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide
CID 103542764

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46271796) is N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is O=C(Nc1cccnc1)c1noc2c1COc1ccccc1-2.
What is the InChIKey of N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is LQBSJQLPBFSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16(18-10-4-3-7-17-8-10)14-12-9-21-13-6-2-1-5-11(13)15(12)22-19-14/h1-8H,9H2,(H,18,20).
What are the key properties of N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46271796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).