[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate

C20H15ClN2O4 — CID 47020775

IUPAC[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate
SMILESCc1ccc(-c2nc(COC(=O)C3=Cc4cc(Cl)ccc4OC3)no2)cc1
InChIInChI=1S/C20H15ClN2O4/c1-12-2-4-13(5-3-12)19-22-18(23-27-19)11-26-20(24)15-8-14-9-16(21)6-7-17(14)25-10-15/h2-9H,10-11H2,1H3
InChIKeyKNIPHQLAVBUEML-UHFFFAOYSA-N
MW382.80 g/mol
LogP4.22
Rot. Bonds4

About [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate

[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate (PubChem CID 47020775) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate
PubChem CID47020775
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate
SMILESCc1ccc(-c2nc(COC(=O)C3=Cc4cc(Cl)ccc4OC3)no2)cc1
InChIInChI=1S/C20H15ClN2O4/c1-12-2-4-13(5-3-12)19-22-18(23-27-19)11-26-20(24)15-8-14-9-16(21)6-7-17(14)25-10-15/h2-9H,10-11H2,1H3
InChIKeyKNIPHQLAVBUEML-UHFFFAOYSA-N
XLogP4.22
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 6-chloro-2H-chromene-3-carboxylate
CID 46641419
ethyl 7-chloro-2H-chromene-3-carboxylate
CID 22934791
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate
CID 24666629
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18293054
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-methylfuran-2-carboxylate
CID 30658249
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 9-oxofluorene-2-carboxylate
CID 24669546
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 55443748
6-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2H-chromene-3-carboxamide
CID 91842918
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18099486
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate?
The IUPAC name of [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate (CID 47020775) is [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate.
What is the SMILES notation for [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate?
The canonical SMILES for [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate is Cc1ccc(-c2nc(COC(=O)C3=Cc4cc(Cl)ccc4OC3)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate?
The InChIKey is KNIPHQLAVBUEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c1-12-2-4-13(5-3-12)19-22-18(23-27-19)11-26-20(24)15-8-14-9-16(21)6-7-17(14)25-10-15/h2-9H,10-11H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate?
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate has a molecular weight of 382.80 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate is sourced from PubChem (CID 47020775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).