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

C15H22N2O3 — CID 115064554

IUPAC4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OCC2(C)CCCN)cc1
InChIInChI=1S/C15H22N2O3/c1-15(8-3-9-16)11-20-14(18)17(15)10-12-4-6-13(19-2)7-5-12/h4-7H,3,8-11,16H2,1-2H3
InChIKeyMRUAVZISUINFGH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.14
Rot. Bonds6

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

4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115064554) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID115064554
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OCC2(C)CCCN)cc1
InChIInChI=1S/C15H22N2O3/c1-15(8-3-9-16)11-20-14(18)17(15)10-12-4-6-13(19-2)7-5-12/h4-7H,3,8-11,16H2,1-2H3
InChIKeyMRUAVZISUINFGH-UHFFFAOYSA-N
XLogP2.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064445
4-(aminomethyl)-3-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064441
4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064483
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115064763
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64881075
(2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one
CID 147394084
(3R)-3-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,4-oxazepan-5-one
CID 58563118
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
10-(4-methoxyphenyl)decan-1-amine
CID 70566558

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (CID 115064554) is 4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is COc1ccc(CN2C(=O)OCC2(C)CCCN)cc1.
What is the InChIKey of 4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is MRUAVZISUINFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(8-3-9-16)11-20-14(18)17(15)10-12-4-6-13(19-2)7-5-12/h4-7H,3,8-11,16H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).