5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

C14H20N2O3 — CID 115060056

IUPAC5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1CN1CC(CCCN)OC1=O
InChIInChI=1S/C14H20N2O3/c1-18-13-7-3-2-5-11(13)9-16-10-12(6-4-8-15)19-14(16)17/h2-3,5,7,12H,4,6,8-10,15H2,1H3
InChIKeyCIMHAVFCKOOVOB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.75
Rot. Bonds6

About 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115060056) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115060056
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1CN1CC(CCCN)OC1=O
InChIInChI=1S/C14H20N2O3/c1-18-13-7-3-2-5-11(13)9-16-10-12(6-4-8-15)19-14(16)17/h2-3,5,7,12H,4,6,8-10,15H2,1H3
InChIKeyCIMHAVFCKOOVOB-UHFFFAOYSA-N
XLogP1.75
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060054
5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060075
5-(3-aminopropyl)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060074
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395
6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
CID 115068112
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060062
4-[(2-methoxyphenyl)methyl]-2-methyl-5H-1,4-benzoxazepin-3-one
CID 53335578
3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 70040357
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 115060056) is 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is COc1ccccc1CN1CC(CCCN)OC1=O.
What is the InChIKey of 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is CIMHAVFCKOOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13-7-3-2-5-11(13)9-16-10-12(6-4-8-15)19-14(16)17/h2-3,5,7,12H,4,6,8-10,15H2,1H3.
What are the key properties of 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115060056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).