1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea

C11H13N5O2 — CID 166274717

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea
SMILESCc1cc(NC(=O)NCCc2ncccn2)on1
InChIInChI=1S/C11H13N5O2/c1-8-7-10(18-16-8)15-11(17)14-6-3-9-12-4-2-5-13-9/h2,4-5,7H,3,6H2,1H3,(H2,14,15,17)
InChIKeyGDBSMJJMBCGRIN-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.14
Rot. Bonds4

About 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea

1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea (PubChem CID 166274717) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea
PubChem CID166274717
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea
SMILESCc1cc(NC(=O)NCCc2ncccn2)on1
InChIInChI=1S/C11H13N5O2/c1-8-7-10(18-16-8)15-11(17)14-6-3-9-12-4-2-5-13-9/h2,4-5,7H,3,6H2,1H3,(H2,14,15,17)
InChIKeyGDBSMJJMBCGRIN-UHFFFAOYSA-N
XLogP1.14
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154864189
1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 167862543
1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea
CID 154863683
1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 90203017
1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154857494
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167772547
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95629512
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95975313

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea (CID 166274717) is 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea is Cc1cc(NC(=O)NCCc2ncccn2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea?
The InChIKey is GDBSMJJMBCGRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-7-10(18-16-8)15-11(17)14-6-3-9-12-4-2-5-13-9/h2,4-5,7H,3,6H2,1H3,(H2,14,15,17).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea?
1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea has a molecular weight of 247.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea is sourced from PubChem (CID 166274717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).