1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea

C13H14FN3O3 — CID 99712569

IUPAC1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea
SMILESC[C@H](NC(=O)Nc1ncco1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O3/c1-8(11(18)9-2-4-10(14)5-3-9)16-12(19)17-13-15-6-7-20-13/h2-8,11,18H,1H3,(H2,15,16,17,19)/t8-,11-/m0/s1
InChIKeyLBLQLGINFGDRPX-KWQFWETISA-N
MW279.27 g/mol
LogP2.06
Rot. Bonds4

About 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea

1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea (PubChem CID 99712569) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea
PubChem CID99712569
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea
SMILESC[C@H](NC(=O)Nc1ncco1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O3/c1-8(11(18)9-2-4-10(14)5-3-9)16-12(19)17-13-15-6-7-20-13/h2-8,11,18H,1H3,(H2,15,16,17,19)/t8-,11-/m0/s1
InChIKeyLBLQLGINFGDRPX-KWQFWETISA-N
XLogP2.06
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea 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-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea (CID 99712569) is 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea is C[C@H](NC(=O)Nc1ncco1)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea?
The InChIKey is LBLQLGINFGDRPX-KWQFWETISA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-8(11(18)9-2-4-10(14)5-3-9)16-12(19)17-13-15-6-7-20-13/h2-8,11,18H,1H3,(H2,15,16,17,19)/t8-,11-/m0/s1.
What are the key properties of 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea?
1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea has a molecular weight of 279.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3-oxazol-2-yl)urea is sourced from PubChem (CID 99712569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).