3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one

C18H29NO2 — CID 90146295

IUPAC3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1CN(CC2C3CC4CC(C3)CC2C4)C(=O)O1
InChIInChI=1S/C18H29NO2/c1-11(2)3-16-9-19(18(20)21-16)10-17-14-5-12-4-13(7-14)8-15(17)6-12/h11-17H,3-10H2,1-2H3
InChIKeyHPAMZEFXGFGEQV-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.93
Rot. Bonds4

About 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one

3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 90146295) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID90146295
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1CN(CC2C3CC4CC(C3)CC2C4)C(=O)O1
InChIInChI=1S/C18H29NO2/c1-11(2)3-16-9-19(18(20)21-16)10-17-14-5-12-4-13(7-14)8-15(17)6-12/h11-17H,3-10H2,1-2H3
InChIKeyHPAMZEFXGFGEQV-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 90146295) is 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)CC1CN(CC2C3CC4CC(C3)CC2C4)C(=O)O1.
What is the InChIKey of 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is HPAMZEFXGFGEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-11(2)3-16-9-19(18(20)21-16)10-17-14-5-12-4-13(7-14)8-15(17)6-12/h11-17H,3-10H2,1-2H3.
What are the key properties of 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one?
3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 291.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantylmethyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90146295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).