(5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

C24H30N2O3 — CID 70051911

IUPAC(5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(c2ccc(C3(NCc4ccccc4)CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C24H30N2O3/c1-28-18-22-17-26(23(27)29-22)21-12-10-20(11-13-21)24(14-6-3-7-15-24)25-16-19-8-4-2-5-9-19/h2,4-5,8-13,22,25H,3,6-7,14-18H2,1H3/t22-/m0/s1
InChIKeyDONYQLXVKBOFPD-QFIPXVFZSA-N
MW394.52 g/mol
LogP4.61
Rot. Bonds7

About (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

(5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 70051911) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID70051911
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(c2ccc(C3(NCc4ccccc4)CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C24H30N2O3/c1-28-18-22-17-26(23(27)29-22)21-12-10-20(11-13-21)24(14-6-3-7-15-24)25-16-19-8-4-2-5-9-19/h2,4-5,8-13,22,25H,3,6-7,14-18H2,1H3/t22-/m0/s1
InChIKeyDONYQLXVKBOFPD-QFIPXVFZSA-N
XLogP4.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
Bis(2-dimethylaminoethyl) 4,4'-methylenebis(N-phenylcarbamate)
CID 342112
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
1-Propylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53317169
1-Methylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53318454
1-Butylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53321084
1-Ethylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53326338
N-[[(5S)-3-[4-[4-[(diaminomethylideneamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 52943501
1-Pentylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53321085
1-(4-Aminobutyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 53325044
1-(5-Aminopentyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 53326849
(5R)-3-[3-fluoro-4-(4-methylphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168283483

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 70051911) is (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COC[C@@H]1CN(c2ccc(C3(NCc4ccccc4)CCCCC3)cc2)C(=O)O1.
What is the InChIKey of (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is DONYQLXVKBOFPD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-18-22-17-26(23(27)29-22)21-12-10-20(11-13-21)24(14-6-3-7-15-24)25-16-19-8-4-2-5-9-19/h2,4-5,8-13,22,25H,3,6-7,14-18H2,1H3/t22-/m0/s1.
What are the key properties of (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
(5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 394.52 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[4-[1-(benzylamino)cyclohexyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70051911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).