3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C23H16ClN5O2 — CID 3242222

IUPAC3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C23H16ClN5O2/c1-14-20(21(28-31-14)17-5-2-3-6-18(17)24)22(30)26-16-9-7-15(8-10-16)19-13-29-12-4-11-25-23(29)27-19/h2-13H,1H3,(H,26,30)
InChIKeyANENRXYYYDNRQI-UHFFFAOYSA-N
MW429.87 g/mol
LogP5.27
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3242222) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3242222
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC Name3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C23H16ClN5O2/c1-14-20(21(28-31-14)17-5-2-3-6-18(17)24)22(30)26-16-9-7-15(8-10-16)19-13-29-12-4-11-25-23(29)27-19/h2-13H,1H3,(H,26,30)
InChIKeyANENRXYYYDNRQI-UHFFFAOYSA-N
XLogP5.27
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.87
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 3242222) is 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ANENRXYYYDNRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c1-14-20(21(28-31-14)17-5-2-3-6-18(17)24)22(30)26-16-9-7-15(8-10-16)19-13-29-12-4-11-25-23(29)27-19/h2-13H,1H3,(H,26,30).
What are the key properties of 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 429.87 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3242222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).