1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea

C19H26N4O2 — CID 51084680

IUPAC1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea
SMILESCCN1CCC(CNC(=O)NCc2cc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C19H26N4O2/c1-3-23-9-8-15(13-23)11-20-19(24)21-12-17-10-18(22-25-17)16-6-4-14(2)5-7-16/h4-7,10,15H,3,8-9,11-13H2,1-2H3,(H2,20,21,24)
InChIKeyIYIWQPGSGPATLE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.79
Rot. Bonds6

About 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea

1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea (PubChem CID 51084680) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea
PubChem CID51084680
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea
SMILESCCN1CCC(CNC(=O)NCc2cc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C19H26N4O2/c1-3-23-9-8-15(13-23)11-20-19(24)21-12-17-10-18(22-25-17)16-6-4-14(2)5-7-16/h4-7,10,15H,3,8-9,11-13H2,1-2H3,(H2,20,21,24)
InChIKeyIYIWQPGSGPATLE-UHFFFAOYSA-N
XLogP2.79
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea (CID 51084680) is 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea is CCN1CCC(CNC(=O)NCc2cc(-c3ccc(C)cc3)no2)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea?
The InChIKey is IYIWQPGSGPATLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-23-9-8-15(13-23)11-20-19(24)21-12-17-10-18(22-25-17)16-6-4-14(2)5-7-16/h4-7,10,15H,3,8-9,11-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea?
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]urea is sourced from PubChem (CID 51084680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).