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

C16H23N3O2 — CID 47760732

IUPAC1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C16H23N3O2/c1-10-2-14(19-21-10)9-17-15(20)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h2,11-13H,3-9H2,1H3,(H2,17,18,20)
InChIKeyRBJKJGCTMGFMLE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.75
Rot. Bonds3

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

1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 47760732) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID47760732
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C16H23N3O2/c1-10-2-14(19-21-10)9-17-15(20)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h2,11-13H,3-9H2,1H3,(H2,17,18,20)
InChIKeyRBJKJGCTMGFMLE-UHFFFAOYSA-N
XLogP2.75
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 47760732) is 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is RBJKJGCTMGFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-2-14(19-21-10)9-17-15(20)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h2,11-13H,3-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 289.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 47760732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).