2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide

C19H16Cl2N4O3 — CID 84553160

IUPAC2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4O3/c20-14-3-1-12(9-15(14)21)19-24-16(11-28-19)18(26)23-13-2-4-17(22-10-13)25-5-7-27-8-6-25/h1-4,9-11H,5-8H2,(H,23,26)
InChIKeyQKCKWKPXZBCOJN-UHFFFAOYSA-N
MW419.27 g/mol
LogP4.13
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide

2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 84553160) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID84553160
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC Name2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4O3/c20-14-3-1-12(9-15(14)21)19-24-16(11-28-19)18(26)23-13-2-4-17(22-10-13)25-5-7-27-8-6-25/h1-4,9-11H,5-8H2,(H,23,26)
InChIKeyQKCKWKPXZBCOJN-UHFFFAOYSA-N
XLogP4.13
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3854955
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18145943
3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 43038049
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
2-(2,5-dichlorophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 34444546
2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119839710
5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 48655504

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide (CID 84553160) is 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1coc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QKCKWKPXZBCOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c20-14-3-1-12(9-15(14)21)19-24-16(11-28-19)18(26)23-13-2-4-17(22-10-13)25-5-7-27-8-6-25/h1-4,9-11H,5-8H2,(H,23,26).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 419.27 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84553160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).