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

C15H20N2O3 — CID 62018003

IUPAC3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CNC2CC2)cc1CN1CCOC1=O
InChIInChI=1S/C15H20N2O3/c1-19-14-5-2-11(9-16-13-3-4-13)8-12(14)10-17-6-7-20-15(17)18/h2,5,8,13,16H,3-4,6-7,9-10H2,1H3
InChIKeyPHDVLHJJYZVBHC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.90
Rot. Bonds6

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

3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 62018003) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID62018003
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CNC2CC2)cc1CN1CCOC1=O
InChIInChI=1S/C15H20N2O3/c1-19-14-5-2-11(9-16-13-3-4-13)8-12(14)10-17-6-7-20-15(17)18/h2,5,8,13,16H,3-4,6-7,9-10H2,1H3
InChIKeyPHDVLHJJYZVBHC-UHFFFAOYSA-N
XLogP1.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

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CID 62017814
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CID 62018191
N-[[3-(tert-butylsulfanylmethyl)-4-methoxyphenyl]methyl]cyclopropanamine
CID 64614472
N-[[4-methoxy-3-[[methyl(pentyl)amino]methyl]phenyl]methyl]cyclopropanamine
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N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63982071
N-[[4-methoxy-3-[[methyl(pentan-3-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017227
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267
N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62019463
N-[(3-chloro-4-methoxyphenyl)methyl]thian-4-amine
CID 115653478
N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one (CID 62018003) is 3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one is COc1ccc(CNC2CC2)cc1CN1CCOC1=O.
What is the InChIKey of 3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is PHDVLHJJYZVBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-14-5-2-11(9-16-13-3-4-13)8-12(14)10-17-6-7-20-15(17)18/h2,5,8,13,16H,3-4,6-7,9-10H2,1H3.
What are the key properties of 3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one?
3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62018003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).