1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea

C24H22FN3O3 — CID 76900484

IUPAC1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
SMILESO=C(NCC1=NOC(COc2ccccc2-c2ccccc2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3/c25-18-10-12-19(13-11-18)27-24(29)26-15-20-14-21(31-28-20)16-30-23-9-5-4-8-22(23)17-6-2-1-3-7-17/h1-13,21H,14-16H2,(H2,26,27,29)
InChIKeyPCKHYZHYKUDNQF-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.84
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea

1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea (PubChem CID 76900484) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
PubChem CID76900484
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
SMILESO=C(NCC1=NOC(COc2ccccc2-c2ccccc2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3/c25-18-10-12-19(13-11-18)27-24(29)26-15-20-14-21(31-28-20)16-30-23-9-5-4-8-22(23)17-6-2-1-3-7-17/h1-13,21H,14-16H2,(H2,26,27,29)
InChIKeyPCKHYZHYKUDNQF-UHFFFAOYSA-N
XLogP4.84
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea with MolForge

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Related Compounds

1-(6-cyano-3-pyridinyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
CID 76901035
1-(5-methyl-1,3-thiazol-2-yl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
CID 76901039
N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 76902175
1-[[5-[[2-(6-fluoro-3-pyridinyl)-3-pyridinyl]oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3-pyridin-4-ylurea
CID 118679308
tert-butyl-[[(5R)-5-[[2-(4-fluorophenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamic acid
CID 90285568
tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
CID 90292947
N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4,6,7,7a-tetrahydro-2H-thieno[3,2-c]pyridine-5-carboxamide
CID 175753842
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
CID 90292915
[5-[[2-(2-fluoro-3-pyridinyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate
CID 90286757
1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 95052140
1-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(2-phenylphenoxy)methyl]phenyl]urea
CID 88907391

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea (CID 76900484) is 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea is O=C(NCC1=NOC(COc2ccccc2-c2ccccc2)C1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea?
The InChIKey is PCKHYZHYKUDNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-18-10-12-19(13-11-18)27-24(29)26-15-20-14-21(31-28-20)16-30-23-9-5-4-8-22(23)17-6-2-1-3-7-17/h1-13,21H,14-16H2,(H2,26,27,29).
What are the key properties of 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea?
1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea has a molecular weight of 419.46 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea is sourced from PubChem (CID 76900484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).