N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide

C19H22FN3O4 — CID 7217195

IUPACN-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C19H22FN3O4/c20-15-5-3-14(4-6-15)12-21-18(24)19(25)22-13-16(17-2-1-9-27-17)23-7-10-26-11-8-23/h1-6,9,16H,7-8,10-13H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyWEMCIKWQVQBEQO-INIZCTEOSA-N
MW375.40 g/mol
LogP1.22
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 7217195) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
PubChem CID7217195
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C19H22FN3O4/c20-15-5-3-14(4-6-15)12-21-18(24)19(25)22-13-16(17-2-1-9-27-17)23-7-10-26-11-8-23/h1-6,9,16H,7-8,10-13H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyWEMCIKWQVQBEQO-INIZCTEOSA-N
XLogP1.22
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234278
N-benzyl-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217143
N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 7217228
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234754
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835087
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162865
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30608981
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217373
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217371
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 16809855
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide (CID 7217195) is N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is WEMCIKWQVQBEQO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22FN3O4/c20-15-5-3-14(4-6-15)12-21-18(24)19(25)22-13-16(17-2-1-9-27-17)23-7-10-26-11-8-23/h1-6,9,16H,7-8,10-13H2,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 375.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 7217195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).