2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

C24H28FN5O3 — CID 46000927

IUPAC2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1coc(CN(CCN2CCOCC2)Cc2ccc(F)cc2)n1
InChIInChI=1S/C24H28FN5O3/c25-21-5-3-19(4-6-21)16-30(9-8-29-10-12-32-13-11-29)17-23-28-22(18-33-23)24(31)27-15-20-2-1-7-26-14-20/h1-7,14,18H,8-13,15-17H2,(H,27,31)
InChIKeyDSUUOPCLLTVSAC-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.47
Rot. Bonds10

About 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 46000927) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID46000927
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC Name2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1coc(CN(CCN2CCOCC2)Cc2ccc(F)cc2)n1
InChIInChI=1S/C24H28FN5O3/c25-21-5-3-19(4-6-21)16-30(9-8-29-10-12-32-13-11-29)17-23-28-22(18-33-23)24(31)27-15-20-2-1-7-26-14-20/h1-7,14,18H,8-13,15-17H2,(H,27,31)
InChIKeyDSUUOPCLLTVSAC-UHFFFAOYSA-N
XLogP2.47
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 46000927) is 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1cccnc1)c1coc(CN(CCN2CCOCC2)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DSUUOPCLLTVSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c25-21-5-3-19(4-6-21)16-30(9-8-29-10-12-32-13-11-29)17-23-28-22(18-33-23)24(31)27-15-20-2-1-7-26-14-20/h1-7,14,18H,8-13,15-17H2,(H,27,31).
What are the key properties of 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46000927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).