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

C23H27FN4O4 — CID 42833522

IUPAC2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1coc(CN(CCN2CCOCC2)Cc2ccc(F)cc2)n1
InChIInChI=1S/C23H27FN4O4/c24-19-5-3-18(4-6-19)15-28(8-7-27-9-12-30-13-10-27)16-22-26-21(17-32-22)23(29)25-14-20-2-1-11-31-20/h1-6,11,17H,7-10,12-16H2,(H,25,29)
InChIKeyFVWVBLHBOFRVHQ-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.67
Rot. Bonds10

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

2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42833522) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID42833522
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1coc(CN(CCN2CCOCC2)Cc2ccc(F)cc2)n1
InChIInChI=1S/C23H27FN4O4/c24-19-5-3-18(4-6-19)15-28(8-7-27-9-12-30-13-10-27)16-22-26-21(17-32-22)23(29)25-14-20-2-1-11-31-20/h1-6,11,17H,7-10,12-16H2,(H,25,29)
InChIKeyFVWVBLHBOFRVHQ-UHFFFAOYSA-N
XLogP2.67
TPSA83.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{4-[4-(piperidin-1-ylcarbonyl)-oxazol-2-yl]-benzyl}-2-(4-trifluoromethoxy-phenyl)-acetamide
CID 10311116
2-(2-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415617
2-(3-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415641
2-(4-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415668
2-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415683
N-[[4-[4-(4-oxopiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415717
N-[[4-[4-(3-oxopiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415781
N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415782
N-[[4-[4-(3-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415834
1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3242398
2-(4-fluorophenyl)-N-[(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-2-yl]-4-propyl-1,3-oxazole-5-carboxamide
CID 16069004
N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide
CID 118732129

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 42833522) is 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1ccco1)c1coc(CN(CCN2CCOCC2)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FVWVBLHBOFRVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c24-19-5-3-18(4-6-19)15-28(8-7-27-9-12-30-13-10-27)16-22-26-21(17-32-22)23(29)25-14-20-2-1-11-31-20/h1-6,11,17H,7-10,12-16H2,(H,25,29).
What are the key properties of 2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 2.67, 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-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42833522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).