N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide

C21H16N2O6 — CID 35337837

IUPACN-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(=O)c4ccccc4o3)on2)cc1OC
InChIInChI=1S/C21H16N2O6/c1-26-17-8-7-12(9-18(17)27-2)14-10-20(29-23-14)22-21(25)19-11-15(24)13-5-3-4-6-16(13)28-19/h3-11H,1-2H3,(H,22,25)
InChIKeyLIQVEXJVWXRIJA-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.72
Rot. Bonds5

About N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide

N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide (PubChem CID 35337837) has the molecular formula C21H16N2O6 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide
PubChem CID35337837
Molecular FormulaC21H16N2O6
Molecular Weight392.37 g/mol
Exact Mass392.10
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(=O)c4ccccc4o3)on2)cc1OC
InChIInChI=1S/C21H16N2O6/c1-26-17-8-7-12(9-18(17)27-2)14-10-20(29-23-14)22-21(25)19-11-15(24)13-5-3-4-6-16(13)28-19/h3-11H,1-2H3,(H,22,25)
InChIKeyLIQVEXJVWXRIJA-UHFFFAOYSA-N
XLogP3.72
TPSA103.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide
CID 35337898
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4558341
3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide
CID 35338112
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
CID 3550447
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 90598011
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590659
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 3477736
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 56530093
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
(3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate
CID 37136414

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide (CID 35337837) is N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide is COc1ccc(-c2cc(NC(=O)c3cc(=O)c4ccccc4o3)on2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide?
The InChIKey is LIQVEXJVWXRIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O6/c1-26-17-8-7-12(9-18(17)27-2)14-10-20(29-23-14)22-21(25)19-11-15(24)13-5-3-4-6-16(13)28-19/h3-11H,1-2H3,(H,22,25).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide?
N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide has a molecular weight of 392.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35337837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).