4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one

C16H17NO3 — CID 72874332

IUPAC4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(CN2C(=O)OCC2CO)c2ccccc12
InChIInChI=1S/C16H17NO3/c1-11-6-7-12(15-5-3-2-4-14(11)15)8-17-13(9-18)10-20-16(17)19/h2-7,13,18H,8-10H2,1H3
InChIKeyKHGBLHXSNLUWEL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.46
Rot. Bonds3

About 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one

4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 72874332) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID72874332
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(CN2C(=O)OCC2CO)c2ccccc12
InChIInChI=1S/C16H17NO3/c1-11-6-7-12(15-5-3-2-4-14(11)15)8-17-13(9-18)10-20-16(17)19/h2-7,13,18H,8-10H2,1H3
InChIKeyKHGBLHXSNLUWEL-UHFFFAOYSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one (CID 72874332) is 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1ccc(CN2C(=O)OCC2CO)c2ccccc12.
What is the InChIKey of 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KHGBLHXSNLUWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-7-12(15-5-3-2-4-14(11)15)8-17-13(9-18)10-20-16(17)19/h2-7,13,18H,8-10H2,1H3.
What are the key properties of 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one?
4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72874332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).