(4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide

C12H19IN2O3 — CID 153353310

IUPAC(4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide
SMILESO=C[C@@H](NC(=O)[C@@H]1COCN1I)C1CCCCC1
InChIInChI=1S/C12H19IN2O3/c13-15-8-18-7-11(15)12(17)14-10(6-16)9-4-2-1-3-5-9/h6,9-11H,1-5,7-8H2,(H,14,17)/t10-,11+/m1/s1
InChIKeyAFZNMJNQKCYPIP-MNOVXSKESA-N
MW366.20 g/mol
LogP1.26
Rot. Bonds4

About (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide

(4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide (PubChem CID 153353310) has the molecular formula C12H19IN2O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide
PubChem CID153353310
Molecular FormulaC12H19IN2O3
Molecular Weight366.20 g/mol
Exact Mass366.04
IUPAC Name(4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide
SMILESO=C[C@@H](NC(=O)[C@@H]1COCN1I)C1CCCCC1
InChIInChI=1S/C12H19IN2O3/c13-15-8-18-7-11(15)12(17)14-10(6-16)9-4-2-1-3-5-9/h6,9-11H,1-5,7-8H2,(H,14,17)/t10-,11+/m1/s1
InChIKeyAFZNMJNQKCYPIP-MNOVXSKESA-N
XLogP1.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide 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

Proline scaffold, 11
CID 42618109
Proline scaffold, 31
CID 42618128
N-(3-oxo-1,2-oxazolidin-4-yl)cyclohexanecarboxamide
CID 44378992
(2S)-N-[(1S)-1-cyclohexyl-2-[(2R,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 70943078
N-[(1S)-1-cyclohexyl-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]carbamoyl iodide
CID 117742293
(4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide
CID 146209681
(4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-methyl-1,3-oxazolidine-4-carboxamide
CID 156374211
N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-methyl-1,3-oxazolidine-4-carboxamide
CID 156374286
2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide
CID 175633002
(4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851792
2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
CID 79523474
3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
CID 79523835

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide (CID 153353310) is (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide is O=C[C@@H](NC(=O)[C@@H]1COCN1I)C1CCCCC1.
What is the InChIKey of (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide?
The InChIKey is AFZNMJNQKCYPIP-MNOVXSKESA-N. The full InChI is InChI=1S/C12H19IN2O3/c13-15-8-18-7-11(15)12(17)14-10(6-16)9-4-2-1-3-5-9/h6,9-11H,1-5,7-8H2,(H,14,17)/t10-,11+/m1/s1.
What are the key properties of (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide?
(4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide has a molecular weight of 366.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1S)-1-cyclohexyl-2-oxoethyl]-3-iodo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 153353310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).