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3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

C16H23N5O2 — CID 99696852

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1ccc(C(C)(C)C)nn1
InChIInChI=1S/C16H23N5O2/c1-10-12(11(2)23-20-10)9-21(6)15(22)17-14-8-7-13(18-19-14)16(3,4)5/h7-8H,9H2,1-6H3,(H,17,19,22)
InChIKeyFDYNNQQCZGXRPM-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.04
Rot. Bonds3

About 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (PubChem CID 99696852) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
PubChem CID99696852
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)Nc1ccc(C(C)(C)C)nn1
InChIInChI=1S/C16H23N5O2/c1-10-12(11(2)23-20-10)9-21(6)15(22)17-14-8-7-13(18-19-14)16(3,4)5/h7-8H,9H2,1-6H3,(H,17,19,22)
InChIKeyFDYNNQQCZGXRPM-UHFFFAOYSA-N
XLogP3.04
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (CID 99696852) is 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is Cc1noc(C)c1CN(C)C(=O)Nc1ccc(C(C)(C)C)nn1.
What is the InChIKey of 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The InChIKey is FDYNNQQCZGXRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-12(11(2)23-20-10)9-21(6)15(22)17-14-8-7-13(18-19-14)16(3,4)5/h7-8H,9H2,1-6H3,(H,17,19,22).
What are the key properties of 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea has a molecular weight of 317.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylpyridazin-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 99696852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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