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

C15H20FN3O2 — CID 24712259

IUPAC1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CC1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H20FN3O2/c1-10(2)17-15(20)19(3)9-13-8-14(18-21-13)11-5-4-6-12(16)7-11/h4-7,10,13H,8-9H2,1-3H3,(H,17,20)
InChIKeyRCWBJXGBBSGGAE-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.37
Rot. Bonds4

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

1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea (PubChem CID 24712259) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea
PubChem CID24712259
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CC1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H20FN3O2/c1-10(2)17-15(20)19(3)9-13-8-14(18-21-13)11-5-4-6-12(16)7-11/h4-7,10,13H,8-9H2,1-3H3,(H,17,20)
InChIKeyRCWBJXGBBSGGAE-UHFFFAOYSA-N
XLogP2.37
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea (CID 24712259) is 1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea is CC(C)NC(=O)N(C)CC1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea?
The InChIKey is RCWBJXGBBSGGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10(2)17-15(20)19(3)9-13-8-14(18-21-13)11-5-4-6-12(16)7-11/h4-7,10,13H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea?
1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea has a molecular weight of 293.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 24712259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).