4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

Name: 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₈N₂O₃ — CID 115064445

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

SMILESCOc1ccc(CN2C(=O)OCC2(C)CN)cc1

InChIInChI=1S/C13H18N2O3/c1-13(8-14)9-18-12(16)15(13)7-10-3-5-11(17-2)6-4-10/h3-6H,7-9,14H2,1-2H3

InChIKeyBFOZRSLCYQLRQK-UHFFFAOYSA-N

MW250.30 g/mol

LogP1.36

Rot. Bonds4

About 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115064445) has the molecular formula C₁₃H₁₈N₂O₃ and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name	4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID	115064445
Molecular Formula	C₁₃H₁₈N₂O₃
Molecular Weight	250.30 g/mol
Exact Mass	250.13
IUPAC Name	4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILES	COc1ccc(CN2C(=O)OCC2(C)CN)cc1
InChI	InChI=1S/C13H18N2O3/c1-13(8-14)9-18-12(16)15(13)7-10-3-5-11(17-2)6-4-10/h3-6H,7-9,14H2,1-2H3
InChIKey	BFOZRSLCYQLRQK-UHFFFAOYSA-N
XLogP	1.36
TPSA	64.79 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.30
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (CID 115064445) is 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is COc1ccc(CN2C(=O)OCC2(C)CN)cc1.

What is the InChIKey of 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is BFOZRSLCYQLRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(8-14)9-18-12(16)15(13)7-10-3-5-11(17-2)6-4-10/h3-6H,7-9,14H2,1-2H3.

What are the key properties of 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?

4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115064445 — identifiers, structure, computed properties (public domain)

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