1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea

C16H18FN3O4 — CID 139933583

IUPAC1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea
SMILESO=C(NC1=C(CN2CCOCC2)C(=O)OC1)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O4/c17-11-1-3-12(4-2-11)18-16(22)19-14-10-24-15(21)13(14)9-20-5-7-23-8-6-20/h1-4H,5-10H2,(H2,18,19,22)
InChIKeyWHOBBPYQGGZIDT-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.09
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea

1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea (PubChem CID 139933583) has the molecular formula C16H18FN3O4 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea
PubChem CID139933583
Molecular FormulaC16H18FN3O4
Molecular Weight335.33 g/mol
Exact Mass335.13
IUPAC Name1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea
SMILESO=C(NC1=C(CN2CCOCC2)C(=O)OC1)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O4/c17-11-1-3-12(4-2-11)18-16(22)19-14-10-24-15(21)13(14)9-20-5-7-23-8-6-20/h1-4H,5-10H2,(H2,18,19,22)
InChIKeyWHOBBPYQGGZIDT-UHFFFAOYSA-N
XLogP1.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea
CID 139933634
1-(4-tert-butyl-3-fluorophenyl)-3-[5-oxo-4-(piperidin-1-ylmethyl)-2H-furan-3-yl]urea
CID 139933608
1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11667339
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 11718559
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
4-fluoro-N-[N-(4-fluorophenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]benzamide
CID 50819510
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea (CID 139933583) is 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea is O=C(NC1=C(CN2CCOCC2)C(=O)OC1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea?
The InChIKey is WHOBBPYQGGZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c17-11-1-3-12(4-2-11)18-16(22)19-14-10-24-15(21)13(14)9-20-5-7-23-8-6-20/h1-4H,5-10H2,(H2,18,19,22).
What are the key properties of 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea?
1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea has a molecular weight of 335.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea is sourced from PubChem (CID 139933583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).