3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea

C19H23N3O3 — CID 126432973

IUPAC3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESO=C(NCc1ccon1)N(C/C=C/c1ccccc1)C[C@H]1CCCO1
InChIInChI=1S/C19H23N3O3/c23-19(20-14-17-10-13-25-21-17)22(15-18-9-5-12-24-18)11-4-8-16-6-2-1-3-7-16/h1-4,6-8,10,13,18H,5,9,11-12,14-15H2,(H,20,23)/b8-4+/t18-/m1/s1
InChIKeyOZDJDFBSFWNJFT-SBLNNXNXSA-N
MW341.41 g/mol
LogP3.08
Rot. Bonds7

About 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea

3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 126432973) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID126432973
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESO=C(NCc1ccon1)N(C/C=C/c1ccccc1)C[C@H]1CCCO1
InChIInChI=1S/C19H23N3O3/c23-19(20-14-17-10-13-25-21-17)22(15-18-9-5-12-24-18)11-4-8-16-6-2-1-3-7-16/h1-4,6-8,10,13,18H,5,9,11-12,14-15H2,(H,20,23)/b8-4+/t18-/m1/s1
InChIKeyOZDJDFBSFWNJFT-SBLNNXNXSA-N
XLogP3.08
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 119066058
3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 125439910
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940786
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72931700
2-ethyl-4-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1,3-thiazole-5-carboxamide
CID 74231482
3-[2-(2-methylpropyl)pyrazol-3-yl]-1-(oxolan-2-ylmethyl)-1-(3-phenylprop-2-enyl)urea
CID 91939927
(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323694
2-cyclopropyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 97143830
2-cyclopropyl-6-oxo-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 70708734
N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131949751
1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide
CID 74230801
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940757

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea (CID 126432973) is 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea is O=C(NCc1ccon1)N(C/C=C/c1ccccc1)C[C@H]1CCCO1.
What is the InChIKey of 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is OZDJDFBSFWNJFT-SBLNNXNXSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(20-14-17-10-13-25-21-17)22(15-18-9-5-12-24-18)11-4-8-16-6-2-1-3-7-16/h1-4,6-8,10,13,18H,5,9,11-12,14-15H2,(H,20,23)/b8-4+/t18-/m1/s1.
What are the key properties of 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 341.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 126432973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).