1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea

C16H25N5O3 — CID 71860768

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea
SMILESCOCCn1nc(C)c(NC(=O)Nc2cc(C(C)(C)C)on2)c1C
InChIInChI=1S/C16H25N5O3/c1-10-14(11(2)21(19-10)7-8-23-6)18-15(22)17-13-9-12(24-20-13)16(3,4)5/h9H,7-8H2,1-6H3,(H2,17,18,20,22)
InChIKeyJAWIIUKCZUYGJG-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.08
Rot. Bonds5

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea (PubChem CID 71860768) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea
PubChem CID71860768
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea
SMILESCOCCn1nc(C)c(NC(=O)Nc2cc(C(C)(C)C)on2)c1C
InChIInChI=1S/C16H25N5O3/c1-10-14(11(2)21(19-10)7-8-23-6)18-15(22)17-13-9-12(24-20-13)16(3,4)5/h9H,7-8H2,1-6H3,(H2,17,18,20,22)
InChIKeyJAWIIUKCZUYGJG-UHFFFAOYSA-N
XLogP3.08
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine
CID 75517167
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea
CID 71984874
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]urea
CID 167841387
1-(5-Methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 24616527
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43382392
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 45832181
1-[3-(3,5-Dimethylpyrazol-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47014455
1-[1-Methyl-3-(2-methylpropyl)pyrazol-5-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47089368
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53555389
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 53559379
1-[1-(2-Methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
CID 71860755
1-[(3,5-Diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
CID 71909866

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea (CID 71860768) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea is COCCn1nc(C)c(NC(=O)Nc2cc(C(C)(C)C)on2)c1C.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea?
The InChIKey is JAWIIUKCZUYGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-10-14(11(2)21(19-10)7-8-23-6)18-15(22)17-13-9-12(24-20-13)16(3,4)5/h9H,7-8H2,1-6H3,(H2,17,18,20,22).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea has a molecular weight of 335.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea is sourced from PubChem (CID 71860768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).