1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C13H19N5O2 — CID 47014455

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(C)n(CCCNC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C13H19N5O2/c1-9-7-10(2)18(16-9)6-4-5-14-13(19)15-12-8-11(3)20-17-12/h7-8H,4-6H2,1-3H3,(H2,14,15,17,19)
InChIKeyVPBWGCHTNDQGBV-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.01
Rot. Bonds5

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 47014455) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID47014455
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(C)n(CCCNC(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C13H19N5O2/c1-9-7-10(2)18(16-9)6-4-5-14-13(19)15-12-8-11(3)20-17-12/h7-8H,4-6H2,1-3H3,(H2,14,15,17,19)
InChIKeyVPBWGCHTNDQGBV-UHFFFAOYSA-N
XLogP2.01
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 47014455) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(C)n(CCCNC(=O)Nc2cc(C)on2)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is VPBWGCHTNDQGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-7-10(2)18(16-9)6-4-5-14-13(19)15-12-8-11(3)20-17-12/h7-8H,4-6H2,1-3H3,(H2,14,15,17,19).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 277.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 47014455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).