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

C16H22FN3O2 — CID 24711954

IUPAC1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea
SMILESCCN(CC1CC(c2cccc(F)c2)=NO1)C(=O)NC(C)C
InChIInChI=1S/C16H22FN3O2/c1-4-20(16(21)18-11(2)3)10-14-9-15(19-22-14)12-6-5-7-13(17)8-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyOUPJSDGEWQIGMA-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.76
Rot. Bonds5

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

1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea (PubChem CID 24711954) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea
PubChem CID24711954
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea
SMILESCCN(CC1CC(c2cccc(F)c2)=NO1)C(=O)NC(C)C
InChIInChI=1S/C16H22FN3O2/c1-4-20(16(21)18-11(2)3)10-14-9-15(19-22-14)12-6-5-7-13(17)8-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyOUPJSDGEWQIGMA-UHFFFAOYSA-N
XLogP2.76
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea (CID 24711954) is 1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea is CCN(CC1CC(c2cccc(F)c2)=NO1)C(=O)NC(C)C.
What is the InChIKey of 1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea?
The InChIKey is OUPJSDGEWQIGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-4-20(16(21)18-11(2)3)10-14-9-15(19-22-14)12-6-5-7-13(17)8-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,21).
What are the key properties of 1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea?
1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea has a molecular weight of 307.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 24711954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).