4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride

C14H20ClNO — CID 2836020

IUPAC4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride
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
InChIKeyWLHPQROHKNNGJM-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.87
Rot. Bonds1

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

4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride (PubChem CID 2836020) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride
PubChem CID2836020
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride
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
InChIKeyWLHPQROHKNNGJM-UHFFFAOYSA-N
XLogP3.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.87
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;hydrochloride?
The IUPAC name of 4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride (CID 2836020) is 4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride.
What is the SMILES notation for 4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride?
The canonical SMILES for 4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride is Cc1nc(C23CC4CC(CC(C4)C2)C3)co1.Cl.
What is the InChIKey of 4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride?
The InChIKey is WLHPQROHKNNGJM-UHFFFAOYSA-N. 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.
What are the key properties of 4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride?
4-(1-adamantyl)-2-methyl-1,3-oxazole;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 3.87, 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;hydrochloride is sourced from PubChem (CID 2836020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).