1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

C16H25N5O2 — CID 71865793

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCC(C)Cn1cc(NC(=O)NCc2ncc(C(C)(C)C)o2)cn1
InChIInChI=1S/C16H25N5O2/c1-11(2)9-21-10-12(6-19-21)20-15(22)18-8-14-17-7-13(23-14)16(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,18,20,22)
InChIKeyRERKVZRTMOHRQA-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.15
Rot. Bonds5

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (PubChem CID 71865793) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
PubChem CID71865793
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCC(C)Cn1cc(NC(=O)NCc2ncc(C(C)(C)C)o2)cn1
InChIInChI=1S/C16H25N5O2/c1-11(2)9-21-10-12(6-19-21)20-15(22)18-8-14-17-7-13(23-14)16(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,18,20,22)
InChIKeyRERKVZRTMOHRQA-UHFFFAOYSA-N
XLogP3.15
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (CID 71865793) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is CC(C)Cn1cc(NC(=O)NCc2ncc(C(C)(C)C)o2)cn1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The InChIKey is RERKVZRTMOHRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)9-21-10-12(6-19-21)20-15(22)18-8-14-17-7-13(23-14)16(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,18,20,22).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea has a molecular weight of 319.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is sourced from PubChem (CID 71865793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).