3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C26H21ClN4O3 — CID 122323568

IUPAC3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C26H21ClN4O3/c1-15-7-6-12-31-14-21(28-25(15)31)17-10-11-22(33-3)20(13-17)29-26(32)23-16(2)34-30-24(23)18-8-4-5-9-19(18)27/h4-14H,1-3H3,(H,29,32)
InChIKeyRFBHLALDLQSJKT-UHFFFAOYSA-N
MW472.93 g/mol
LogP6.19
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122323568) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122323568
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC Name3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C26H21ClN4O3/c1-15-7-6-12-31-14-21(28-25(15)31)17-10-11-22(33-3)20(13-17)29-26(32)23-16(2)34-30-24(23)18-8-4-5-9-19(18)27/h4-14H,1-3H3,(H,29,32)
InChIKeyRFBHLALDLQSJKT-UHFFFAOYSA-N
XLogP6.19
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.93
LogP ≤ 56.19
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-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122323568) is 3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RFBHLALDLQSJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c1-15-7-6-12-31-14-21(28-25(15)31)17-10-11-22(33-3)20(13-17)29-26(32)23-16(2)34-30-24(23)18-8-4-5-9-19(18)27/h4-14H,1-3H3,(H,29,32).
What are the key properties of 3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 472.93 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122323568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).