1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea

C14H18FN5O3 — CID 128994763

About 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea

1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea (PubChem CID 128994763) has the molecular formula C14H18FN5O3 and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

• Compound Name: 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea
• PubChem CID: 128994763
• Molecular Formula: C14H18FN5O3
• Molecular Weight: 323.33 g/mol
• Exact Mass: 323.14
• IUPAC Name: 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea
• SMILES: Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)Nc1ccon1
• InChI: InChI=1S/C14H18FN5O3/c1-9-10(5-17-23-9)7-20-8-11(15)4-12(20)6-16-14(21)18-13-2-3-22-19-13/h2-3,5,11-12H,4,6-8H2,1H3,(H2,16,18,19,21)/t11-,12-/m0/s1
• InChIKey: CHTULJMIMAPEQT-RYUDHWBXSA-N
• XLogP: 1.71
• TPSA: 96.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.33
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea?

The IUPAC name of 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea (CID 128994763) is 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea.

What is the SMILES notation for 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea?

The canonical SMILES for 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea is Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)Nc1ccon1.

What is the InChIKey of 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea?

The InChIKey is CHTULJMIMAPEQT-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18FN5O3/c1-9-10(5-17-23-9)7-20-8-11(15)4-12(20)6-16-14(21)18-13-2-3-22-19-13/h2-3,5,11-12H,4,6-8H2,1H3,(H2,16,18,19,21)/t11-,12-/m0/s1.

What are the key properties of 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea?

1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea has a molecular weight of 323.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 128994763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).