1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

C11H15N5O2 — CID 118785680

IUPAC1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)NCc1ccon1
InChIInChI=1S/C11H15N5O2/c1-7-10(8(2)16(3)14-7)13-11(17)12-6-9-4-5-18-15-9/h4-5H,6H2,1-3H3,(H2,12,13,17)
InChIKeyREKRZJJXGDWEGD-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.35
Rot. Bonds3

About 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 118785680) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID118785680
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)NCc1ccon1
InChIInChI=1S/C11H15N5O2/c1-7-10(8(2)16(3)14-7)13-11(17)12-6-9-4-5-18-15-9/h4-5H,6H2,1-3H3,(H2,12,13,17)
InChIKeyREKRZJJXGDWEGD-UHFFFAOYSA-N
XLogP1.35
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 75433856
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885076
1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 131086599
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 115672626
1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea
CID 167868862
N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide
CID 79493303
3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 107274113

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 118785680) is 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is Cc1nn(C)c(C)c1NC(=O)NCc1ccon1.
What is the InChIKey of 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is REKRZJJXGDWEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-10(8(2)16(3)14-7)13-11(17)12-6-9-4-5-18-15-9/h4-5H,6H2,1-3H3,(H2,12,13,17).
What are the key properties of 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 249.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 118785680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).