1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea

C13H16N4O3 — CID 56826368

IUPAC1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea
SMILESCc1cc(NC(=O)N(CCO)Cc2cccnc2)no1
InChIInChI=1S/C13H16N4O3/c1-10-7-12(16-20-10)15-13(19)17(5-6-18)9-11-3-2-4-14-8-11/h2-4,7-8,18H,5-6,9H2,1H3,(H,15,16,19)
InChIKeyHKZLGYMKSDMOAY-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.40
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea

1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 56826368) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea
PubChem CID56826368
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea
SMILESCc1cc(NC(=O)N(CCO)Cc2cccnc2)no1
InChIInChI=1S/C13H16N4O3/c1-10-7-12(16-20-10)15-13(19)17(5-6-18)9-11-3-2-4-14-8-11/h2-4,7-8,18H,5-6,9H2,1H3,(H,15,16,19)
InChIKeyHKZLGYMKSDMOAY-UHFFFAOYSA-N
XLogP1.40
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 87008900
N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259097
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 51102289
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
N-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235488
2-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110296524
N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47263973
1-[(4-methylphenyl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 5147202

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea (CID 56826368) is 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea is Cc1cc(NC(=O)N(CCO)Cc2cccnc2)no1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is HKZLGYMKSDMOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-10-7-12(16-20-10)15-13(19)17(5-6-18)9-11-3-2-4-14-8-11/h2-4,7-8,18H,5-6,9H2,1H3,(H,15,16,19).
What are the key properties of 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea?
1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 276.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 56826368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).