1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea

C16H19N3O3 — CID 129000845

IUPAC1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
SMILESO=C(NCc1ccon1)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3O3/c20-16(18-11-14-7-9-22-19-14)17-10-13-6-8-21-15(13)12-4-2-1-3-5-12/h1-5,7,9,13,15H,6,8,10-11H2,(H2,17,18,20)/t13-,15-/m1/s1
InChIKeyYKEAJXMZFCSZMS-UKRRQHHQSA-N
MW301.35 g/mol
LogP2.25
Rot. Bonds5

About 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea

1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea (PubChem CID 129000845) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
PubChem CID129000845
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
SMILESO=C(NCc1ccon1)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3O3/c20-16(18-11-14-7-9-22-19-14)17-10-13-6-8-21-15(13)12-4-2-1-3-5-12/h1-5,7,9,13,15H,6,8,10-11H2,(H2,17,18,20)/t13-,15-/m1/s1
InChIKeyYKEAJXMZFCSZMS-UKRRQHHQSA-N
XLogP2.25
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea with MolForge

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Related Compounds

2-(1,2-oxazol-3-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]acetamide
CID 129002650
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
(3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide
CID 129400490
1-[(1R)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124505433
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124622593
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
CID 71864345
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129004071
6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129328039
3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 81178610

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
The IUPAC name of 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea (CID 129000845) is 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea is O=C(NCc1ccon1)NC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
The InChIKey is YKEAJXMZFCSZMS-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-16(18-11-14-7-9-22-19-14)17-10-13-6-8-21-15(13)12-4-2-1-3-5-12/h1-5,7,9,13,15H,6,8,10-11H2,(H2,17,18,20)/t13-,15-/m1/s1.
What are the key properties of 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea has a molecular weight of 301.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea is sourced from PubChem (CID 129000845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).