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

C18H21N5O2 — CID 47048393

IUPAC3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NCc2cccc(Cn3ccnc3)c2)no1
InChIInChI=1S/C18H21N5O2/c1-14-8-17(21-25-14)12-22(2)18(24)20-10-15-4-3-5-16(9-15)11-23-7-6-19-13-23/h3-9,13H,10-12H2,1-2H3,(H,20,24)
InChIKeyMVOZNMIRQGIORK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.57
Rot. Bonds6

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

3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 47048393) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID47048393
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NCc2cccc(Cn3ccnc3)c2)no1
InChIInChI=1S/C18H21N5O2/c1-14-8-17(21-25-14)12-22(2)18(24)20-10-15-4-3-5-16(9-15)11-23-7-6-19-13-23/h3-9,13H,10-12H2,1-2H3,(H,20,24)
InChIKeyMVOZNMIRQGIORK-UHFFFAOYSA-N
XLogP2.57
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 47048393) is 3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)NCc2cccc(Cn3ccnc3)c2)no1.
What is the InChIKey of 3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is MVOZNMIRQGIORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-14-8-17(21-25-14)12-22(2)18(24)20-10-15-4-3-5-16(9-15)11-23-7-6-19-13-23/h3-9,13H,10-12H2,1-2H3,(H,20,24).
What are the key properties of 3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 339.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 47048393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).