1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea

C19H20N4O2 — CID 71925683

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
SMILESCc1nc(CNC(=O)NCc2ccc(-c3cccnc3)cc2)oc1C
InChIInChI=1S/C19H20N4O2/c1-13-14(2)25-18(23-13)12-22-19(24)21-10-15-5-7-16(8-6-15)17-4-3-9-20-11-17/h3-9,11H,10,12H2,1-2H3,(H2,21,22,24)
InChIKeyGRGFEIQNRSWMKY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.35
Rot. Bonds5

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea (PubChem CID 71925683) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
PubChem CID71925683
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
SMILESCc1nc(CNC(=O)NCc2ccc(-c3cccnc3)cc2)oc1C
InChIInChI=1S/C19H20N4O2/c1-13-14(2)25-18(23-13)12-22-19(24)21-10-15-5-7-16(8-6-15)17-4-3-9-20-11-17/h3-9,11H,10,12H2,1-2H3,(H2,21,22,24)
InChIKeyGRGFEIQNRSWMKY-UHFFFAOYSA-N
XLogP3.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea
CID 47360072
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 113229810
N-[(4-fluorophenyl)methyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371882
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335717
N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371886
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46093945
N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 66633812
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
1-[(4-chlorophenyl)methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111130813
methyl N-[4-[[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]carbamate
CID 109430769
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea (CID 71925683) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea is Cc1nc(CNC(=O)NCc2ccc(-c3cccnc3)cc2)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea?
The InChIKey is GRGFEIQNRSWMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-14(2)25-18(23-13)12-22-19(24)21-10-15-5-7-16(8-6-15)17-4-3-9-20-11-17/h3-9,11H,10,12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea is sourced from PubChem (CID 71925683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).