3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H16Cl2N4O2 — CID 56799051

IUPAC3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc2nc(CNC(=O)C3CC(c4ccc(Cl)cc4Cl)=NO3)cn2c1
InChIInChI=1S/C19H16Cl2N4O2/c1-11-2-5-18-23-13(10-25(18)9-11)8-22-19(26)17-7-16(24-27-17)14-4-3-12(20)6-15(14)21/h2-6,9-10,17H,7-8H2,1H3,(H,22,26)
InChIKeyQBRXNBDERFLUNB-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.76
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 56799051) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID56799051
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC Name3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc2nc(CNC(=O)C3CC(c4ccc(Cl)cc4Cl)=NO3)cn2c1
InChIInChI=1S/C19H16Cl2N4O2/c1-11-2-5-18-23-13(10-25(18)9-11)8-22-19(26)17-7-16(24-27-17)14-4-3-12(20)6-15(14)21/h2-6,9-10,17H,7-8H2,1H3,(H,22,26)
InChIKeyQBRXNBDERFLUNB-UHFFFAOYSA-N
XLogP3.76
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 56799051) is 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc2nc(CNC(=O)C3CC(c4ccc(Cl)cc4Cl)=NO3)cn2c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QBRXNBDERFLUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c1-11-2-5-18-23-13(10-25(18)9-11)8-22-19(26)17-7-16(24-27-17)14-4-3-12(20)6-15(14)21/h2-6,9-10,17H,7-8H2,1H3,(H,22,26).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 403.27 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56799051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).