1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea

C17H22N4O2 — CID 38886891

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
SMILESCc1cc(NC(=O)NCc2cccc(CN3CCCC3)c2)no1
InChIInChI=1S/C17H22N4O2/c1-13-9-16(20-23-13)19-17(22)18-11-14-5-4-6-15(10-14)12-21-7-2-3-8-21/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H2,18,19,20,22)
InChIKeyXVAZUZJXQFPBPJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.90
Rot. Bonds5

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea (PubChem CID 38886891) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
PubChem CID38886891
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
SMILESCc1cc(NC(=O)NCc2cccc(CN3CCCC3)c2)no1
InChIInChI=1S/C17H22N4O2/c1-13-9-16(20-23-13)19-17(22)18-11-14-5-4-6-15(10-14)12-21-7-2-3-8-21/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H2,18,19,20,22)
InChIKeyXVAZUZJXQFPBPJ-UHFFFAOYSA-N
XLogP2.90
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-methylphenyl)urea
CID 52797114
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 47071678
1-(4-cyanophenyl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886855
3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47026736
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
N-[2-fluoro-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 74249456
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099357
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(morpholin-4-ylmethyl)phenoxy]acetamide
CID 171909386
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101746
2-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 119847245

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea (CID 38886891) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea is Cc1cc(NC(=O)NCc2cccc(CN3CCCC3)c2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is XVAZUZJXQFPBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-9-16(20-23-13)19-17(22)18-11-14-5-4-6-15(10-14)12-21-7-2-3-8-21/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H2,18,19,20,22).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 38886891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).