2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide

C24H23FN4O2 — CID 70177177

IUPAC2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1ccc2ncc(NC(=O)c3coc([C@H](N)CCc4ccc(F)cc4)n3)cc2c1
InChIInChI=1S/C24H23FN4O2/c1-2-15-6-10-21-17(11-15)12-19(13-27-21)28-23(30)22-14-31-24(29-22)20(26)9-5-16-3-7-18(25)8-4-16/h3-4,6-8,10-14,20H,2,5,9,26H2,1H3,(H,28,30)/t20-/m1/s1
InChIKeySDHOXDITVSJUKT-HXUWFJFHSA-N
MW418.47 g/mol
LogP4.81
Rot. Bonds7

About 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide

2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 70177177) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID70177177
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1ccc2ncc(NC(=O)c3coc([C@H](N)CCc4ccc(F)cc4)n3)cc2c1
InChIInChI=1S/C24H23FN4O2/c1-2-15-6-10-21-17(11-15)12-19(13-27-21)28-23(30)22-14-31-24(29-22)20(26)9-5-16-3-7-18(25)8-4-16/h3-4,6-8,10-14,20H,2,5,9,26H2,1H3,(H,28,30)/t20-/m1/s1
InChIKeySDHOXDITVSJUKT-HXUWFJFHSA-N
XLogP4.81
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide (CID 70177177) is 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide is CCc1ccc2ncc(NC(=O)c3coc([C@H](N)CCc4ccc(F)cc4)n3)cc2c1.
What is the InChIKey of 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is SDHOXDITVSJUKT-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-2-15-6-10-21-17(11-15)12-19(13-27-21)28-23(30)22-14-31-24(29-22)20(26)9-5-16-3-7-18(25)8-4-16/h3-4,6-8,10-14,20H,2,5,9,26H2,1H3,(H,28,30)/t20-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70177177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).