3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide

C19H14Cl2N2O4 — CID 1221918

IUPAC3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H14Cl2N2O4/c1-10-16(18(23-27-10)17-12(20)3-2-4-13(17)21)19(24)22-11-5-6-14-15(9-11)26-8-7-25-14/h2-6,9H,7-8H2,1H3,(H,22,24)
InChIKeyUERYULOJZLCCJL-UHFFFAOYSA-N
MW405.24 g/mol
LogP4.98
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1221918) has the molecular formula C19H14Cl2N2O4 and a molecular weight of 405.24 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1221918
Molecular FormulaC19H14Cl2N2O4
Molecular Weight405.24 g/mol
Exact Mass404.03
IUPAC Name3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H14Cl2N2O4/c1-10-16(18(23-27-10)17-12(20)3-2-4-13(17)21)19(24)22-11-5-6-14-15(9-11)26-8-7-25-14/h2-6,9H,7-8H2,1H3,(H,22,24)
InChIKeyUERYULOJZLCCJL-UHFFFAOYSA-N
XLogP4.98
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 690908
Methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate
CID 1044810
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2873224
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
CID 1022785
N4-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2729961
3-(2-chlorophenyl)-5-methyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 6483814
3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 24980379
N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1119211
3-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24818298

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1221918) is 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UERYULOJZLCCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4/c1-10-16(18(23-27-10)17-12(20)3-2-4-13(17)21)19(24)22-11-5-6-14-15(9-11)26-8-7-25-14/h2-6,9H,7-8H2,1H3,(H,22,24).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 405.24 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1221918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).