5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one

C18H30FN3O4 — CID 142851348

IUPAC5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one
SMILESCCCN(CC(F)C(OC)OC)C1C=CC(N2CC(CN)OC2=O)=CC1
InChIInChI=1S/C18H30FN3O4/c1-4-9-21(12-16(19)17(24-2)25-3)13-5-7-14(8-6-13)22-11-15(10-20)26-18(22)23/h5,7-8,13,15-17H,4,6,9-12,20H2,1-3H3
InChIKeyQETLHJBEZVIJEG-UHFFFAOYSA-N
MW371.45 g/mol
LogP1.65
Rot. Bonds10

About 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one (PubChem CID 142851348) has the molecular formula C18H30FN3O4 and a molecular weight of 371.45 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one
PubChem CID142851348
Molecular FormulaC18H30FN3O4
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one
SMILESCCCN(CC(F)C(OC)OC)C1C=CC(N2CC(CN)OC2=O)=CC1
InChIInChI=1S/C18H30FN3O4/c1-4-9-21(12-16(19)17(24-2)25-3)13-5-7-14(8-6-13)22-11-15(10-20)26-18(22)23/h5,7-8,13,15-17H,4,6,9-12,20H2,1-3H3
InChIKeyQETLHJBEZVIJEG-UHFFFAOYSA-N
XLogP1.65
TPSA77.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-3-(4,5-dimethoxy-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116838104
5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 116838121
(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one
CID 115056763
5-(aminomethyl)-3-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838111
5-(aminomethyl)-3-(2-methoxy-3,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838095
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane
CID 143122302
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide
CID 163491524

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one (CID 142851348) is 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one is CCCN(CC(F)C(OC)OC)C1C=CC(N2CC(CN)OC2=O)=CC1.
What is the InChIKey of 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one?
The InChIKey is QETLHJBEZVIJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3O4/c1-4-9-21(12-16(19)17(24-2)25-3)13-5-7-14(8-6-13)22-11-15(10-20)26-18(22)23/h5,7-8,13,15-17H,4,6,9-12,20H2,1-3H3.
What are the key properties of 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one has a molecular weight of 371.45 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142851348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).