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

C21H18F2N4O3 — CID 42097832

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccn2c1CN(C)C(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C21H18F2N4O3/c1-13-18(27-8-4-3-5-20(27)24-13)11-26(2)21(28)17-10-15(30-25-17)12-29-19-7-6-14(22)9-16(19)23/h3-10H,11-12H2,1-2H3
InChIKeyWFXNUEUCTBQFMQ-UHFFFAOYSA-N
MW412.40 g/mol
LogP3.76
Rot. Bonds6

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

5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42097832) has the molecular formula C21H18F2N4O3 and a molecular weight of 412.40 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID42097832
Molecular FormulaC21H18F2N4O3
Molecular Weight412.40 g/mol
Exact Mass412.13
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccn2c1CN(C)C(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C21H18F2N4O3/c1-13-18(27-8-4-3-5-20(27)24-13)11-26(2)21(28)17-10-15(30-25-17)12-29-19-7-6-14(22)9-16(19)23/h3-10H,11-12H2,1-2H3
InChIKeyWFXNUEUCTBQFMQ-UHFFFAOYSA-N
XLogP3.76
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 42097832) is 5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1nc2ccccn2c1CN(C)C(=O)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WFXNUEUCTBQFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O3/c1-13-18(27-8-4-3-5-20(27)24-13)11-26(2)21(28)17-10-15(30-25-17)12-29-19-7-6-14(22)9-16(19)23/h3-10H,11-12H2,1-2H3.
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 412.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42097832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).