3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide

C24H18ClN5O2 — CID 3242922

IUPAC3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1
InChIInChI=1S/C24H18ClN5O2/c1-14-21(28-24-26-11-6-12-30(14)24)16-7-5-8-17(13-16)27-23(31)20-15(2)32-29-22(20)18-9-3-4-10-19(18)25/h3-13H,1-2H3,(H,27,31)
InChIKeyJIOKYSCECFYDKL-UHFFFAOYSA-N
MW443.89 g/mol
LogP5.57
Rot. Bonds4

About 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 3242922) has the molecular formula C24H18ClN5O2 and a molecular weight of 443.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID3242922
Molecular FormulaC24H18ClN5O2
Molecular Weight443.89 g/mol
Exact Mass443.11
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1
InChIInChI=1S/C24H18ClN5O2/c1-14-21(28-24-26-11-6-12-30(14)24)16-7-5-8-17(13-16)27-23(31)20-15(2)32-29-22(20)18-9-3-4-10-19(18)25/h3-13H,1-2H3,(H,27,31)
InChIKeyJIOKYSCECFYDKL-UHFFFAOYSA-N
XLogP5.57
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide (CID 3242922) is 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is JIOKYSCECFYDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c1-14-21(28-24-26-11-6-12-30(14)24)16-7-5-8-17(13-16)27-23(31)20-15(2)32-29-22(20)18-9-3-4-10-19(18)25/h3-13H,1-2H3,(H,27,31).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 443.89 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3242922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).