1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea

C24H29FN4O2 — CID 46021658

IUPAC1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea
SMILESCCNC(=O)N(Cc1ccc(F)cc1)Cc1c(-c2ccccc2)noc1N(CC)CC
InChIInChI=1S/C24H29FN4O2/c1-4-26-24(30)29(16-18-12-14-20(25)15-13-18)17-21-22(19-10-8-7-9-11-19)27-31-23(21)28(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3,(H,26,30)
InChIKeyAPNCROWXSXRKMF-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.06
Rot. Bonds9

About 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea

1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea (PubChem CID 46021658) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea
PubChem CID46021658
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea
SMILESCCNC(=O)N(Cc1ccc(F)cc1)Cc1c(-c2ccccc2)noc1N(CC)CC
InChIInChI=1S/C24H29FN4O2/c1-4-26-24(30)29(16-18-12-14-20(25)15-13-18)17-21-22(19-10-8-7-9-11-19)27-31-23(21)28(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3,(H,26,30)
InChIKeyAPNCROWXSXRKMF-UHFFFAOYSA-N
XLogP5.06
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea (CID 46021658) is 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea is CCNC(=O)N(Cc1ccc(F)cc1)Cc1c(-c2ccccc2)noc1N(CC)CC.
What is the InChIKey of 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea?
The InChIKey is APNCROWXSXRKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-26-24(30)29(16-18-12-14-20(25)15-13-18)17-21-22(19-10-8-7-9-11-19)27-31-23(21)28(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3,(H,26,30).
What are the key properties of 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea?
1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea has a molecular weight of 424.52 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 46021658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).