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

C24H28FN3O2 — CID 4069090

IUPAC1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESO=C(NC1CCCCC1)N(Cc1ccccc1)CC1CC(c2ccccc2F)=NO1
InChIInChI=1S/C24H28FN3O2/c25-22-14-8-7-13-21(22)23-15-20(30-27-23)17-28(16-18-9-3-1-4-10-18)24(29)26-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19-20H,2,5-6,11-12,15-17H2,(H,26,29)
InChIKeyGVWFJMNKQGOLER-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.86
Rot. Bonds6

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

1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (PubChem CID 4069090) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
PubChem CID4069090
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESO=C(NC1CCCCC1)N(Cc1ccccc1)CC1CC(c2ccccc2F)=NO1
InChIInChI=1S/C24H28FN3O2/c25-22-14-8-7-13-21(22)23-15-20(30-27-23)17-28(16-18-9-3-1-4-10-18)24(29)26-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19-20H,2,5-6,11-12,15-17H2,(H,26,29)
InChIKeyGVWFJMNKQGOLER-UHFFFAOYSA-N
XLogP4.86
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Tetrahydropyrimidinone deriv. 84
CID 5327560
5-[[(4R,5R,6R)-6-benzyl-5-hydroxy-2-oxo-4-phenethyl-hexahydropyrimidin-1-yl]methyl]-2-fluoro-N'-hydroxy-benzamidine
CID 6326394
N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 4900663
N-(4-fluorobenzyl)-3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 17095799
5-[[6-benzyl-5-hydroxy-2-oxo-4-(2-phenylethyl)-1,3-diazinan-1-yl]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 76313168
N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095806
1-Ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea
CID 24711954
3-Tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 24712152
1-{[3-(3-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}-1-methyl-3-(propan-2-YL)urea
CID 24712259
N-[1-(3,4-difluorophenyl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45885568
N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071746
3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095764

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The IUPAC name of 1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (CID 4069090) is 1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.
What is the SMILES notation for 1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The canonical SMILES for 1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CC(c2ccccc2F)=NO1.
What is the InChIKey of 1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The InChIKey is GVWFJMNKQGOLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-22-14-8-7-13-21(22)23-15-20(30-27-23)17-28(16-18-9-3-1-4-10-18)24(29)26-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19-20H,2,5-6,11-12,15-17H2,(H,26,29).
What are the key properties of 1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea has a molecular weight of 409.51 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is sourced from PubChem (CID 4069090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).