6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide

C22H17ClN2O6 — CID 35337898

IUPAC6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)on2)cc1OC
InChIInChI=1S/C22H17ClN2O6/c1-11-6-18-13(8-14(11)23)16(26)10-20(30-18)22(27)24-21-9-15(25-31-21)12-4-5-17(28-2)19(7-12)29-3/h4-10H,1-3H3,(H,24,27)
InChIKeyBYJWGEWKFKJYJZ-UHFFFAOYSA-N
MW440.84 g/mol
LogP4.68
Rot. Bonds5

About 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide

6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide (PubChem CID 35337898) has the molecular formula C22H17ClN2O6 and a molecular weight of 440.84 g/mol. Its IUPAC name is 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide
PubChem CID35337898
Molecular FormulaC22H17ClN2O6
Molecular Weight440.84 g/mol
Exact Mass440.08
IUPAC Name6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)on2)cc1OC
InChIInChI=1S/C22H17ClN2O6/c1-11-6-18-13(8-14(11)23)16(26)10-20(30-18)22(27)24-21-9-15(25-31-21)12-4-5-17(28-2)19(7-12)29-3/h4-10H,1-3H3,(H,24,27)
InChIKeyBYJWGEWKFKJYJZ-UHFFFAOYSA-N
XLogP4.68
TPSA103.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide
CID 35337837
3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide
CID 35338112
6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 155942915
2-[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(1-phenylethyl)acetamide
CID 21001436
2-[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2-chlorophenyl)propanamide
CID 21001457
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
CID 35180956
6-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide
CID 35574019
N-benzyl-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 35141061
6-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7-methyl-4-oxochromene-2-carboxamide
CID 4975440
6-chloro-7-methyl-4-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
CID 4974159
6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578842

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide (CID 35337898) is 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide is COc1ccc(-c2cc(NC(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)on2)cc1OC.
What is the InChIKey of 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide?
The InChIKey is BYJWGEWKFKJYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O6/c1-11-6-18-13(8-14(11)23)16(26)10-20(30-18)22(27)24-21-9-15(25-31-21)12-4-5-17(28-2)19(7-12)29-3/h4-10H,1-3H3,(H,24,27).
What are the key properties of 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide?
6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide has a molecular weight of 440.84 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35337898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).