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

C13H21IN2O3 — CID 146209681

IUPAC(4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)[C@@H](NC(=O)[C@@H]1COCN1I)C1CCCCC1
InChIInChI=1S/C13H21IN2O3/c1-9(17)12(10-5-3-2-4-6-10)15-13(18)11-7-19-8-16(11)14/h10-12H,2-8H2,1H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyCUTJIMHFVSAPMF-NWDGAFQWSA-N
MW380.23 g/mol
LogP1.65
Rot. Bonds4

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

(4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide (PubChem CID 146209681) has the molecular formula C13H21IN2O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is (4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide
PubChem CID146209681
Molecular FormulaC13H21IN2O3
Molecular Weight380.23 g/mol
Exact Mass380.06
IUPAC Name(4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)[C@@H](NC(=O)[C@@H]1COCN1I)C1CCCCC1
InChIInChI=1S/C13H21IN2O3/c1-9(17)12(10-5-3-2-4-6-10)15-13(18)11-7-19-8-16(11)14/h10-12H,2-8H2,1H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyCUTJIMHFVSAPMF-NWDGAFQWSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide (CID 146209681) is (4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide is CC(=O)[C@@H](NC(=O)[C@@H]1COCN1I)C1CCCCC1.
What is the InChIKey of (4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide?
The InChIKey is CUTJIMHFVSAPMF-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H21IN2O3/c1-9(17)12(10-5-3-2-4-6-10)15-13(18)11-7-19-8-16(11)14/h10-12H,2-8H2,1H3,(H,15,18)/t11-,12+/m0/s1.
What are the key properties of (4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide?
(4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide has a molecular weight of 380.23 g/mol, XLogP of 1.65, 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-oxopropyl]-3-iodo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 146209681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).