4-(1-adamantyl)-2-methyl-1,3-oxazole chloride

C14H19ClNO- — CID 46863752

IUPAC4-(1-adamantyl)-2-methyl-1,3-oxazole chloride
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)co1.[Cl-]
InChIInChI=1S/C14H19NO.ClH/c1-9-15-13(8-16-9)14-5-10-2-11(6-14)4-12(3-10)7-14;/h8,10-12H,2-7H2,1H3;1H/p-1
InChIKeyWLHPQROHKNNGJM-UHFFFAOYSA-M
MW252.76 g/mol
LogP0.45
Rot. Bonds1

About 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride

4-(1-adamantyl)-2-methyl-1,3-oxazole chloride (PubChem CID 46863752) has the molecular formula C14H19ClNO- and a molecular weight of 252.76 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride.

Molecular Properties

Compound Name4-(1-adamantyl)-2-methyl-1,3-oxazole chloride
PubChem CID46863752
Molecular FormulaC14H19ClNO-
Molecular Weight252.76 g/mol
Exact Mass252.12
IUPAC Name4-(1-adamantyl)-2-methyl-1,3-oxazole chloride
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)co1.[Cl-]
InChIInChI=1S/C14H19NO.ClH/c1-9-15-13(8-16-9)14-5-10-2-11(6-14)4-12(3-10)7-14;/h8,10-12H,2-7H2,1H3;1H/p-1
InChIKeyWLHPQROHKNNGJM-UHFFFAOYSA-M
XLogP0.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.76
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride?
The IUPAC name of 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride (CID 46863752) is 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride.
What is the SMILES notation for 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride?
The canonical SMILES for 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride is Cc1nc(C23CC4CC(CC(C4)C2)C3)co1.[Cl-].
What is the InChIKey of 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride?
The InChIKey is WLHPQROHKNNGJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO.ClH/c1-9-15-13(8-16-9)14-5-10-2-11(6-14)4-12(3-10)7-14;/h8,10-12H,2-7H2,1H3;1H/p-1.
What are the key properties of 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride?
4-(1-adamantyl)-2-methyl-1,3-oxazole chloride has a molecular weight of 252.76 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2-methyl-1,3-oxazole chloride is sourced from PubChem (CID 46863752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).