1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid

C19H24N2O5 — CID 56798009

IUPAC1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H24N2O5/c22-16(13-19(17(23)24)9-3-1-2-4-10-19)20-14-5-7-15(8-6-14)21-11-12-26-18(21)25/h5-8H,1-4,9-13H2,(H,20,22)(H,23,24)
InChIKeyAXFOPOBULXREFM-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.40
Rot. Bonds5

About 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid

1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid (PubChem CID 56798009) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid
PubChem CID56798009
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H24N2O5/c22-16(13-19(17(23)24)9-3-1-2-4-10-19)20-14-5-7-15(8-6-14)21-11-12-26-18(21)25/h5-8H,1-4,9-13H2,(H,20,22)(H,23,24)
InChIKeyAXFOPOBULXREFM-UHFFFAOYSA-N
XLogP3.40
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid 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

1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 56807907
1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17442656
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 110618978
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
2-(4-methylphenoxy)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 110363436
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 45312610
1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43402804
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 60545598
3-(3,4-dimethoxyphenyl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 110668709
1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 60545931

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid (CID 56798009) is 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCCC1)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid?
The InChIKey is AXFOPOBULXREFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c22-16(13-19(17(23)24)9-3-1-2-4-10-19)20-14-5-7-15(8-6-14)21-11-12-26-18(21)25/h5-8H,1-4,9-13H2,(H,20,22)(H,23,24).
What are the key properties of 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid?
1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 56798009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).