(4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C13H21N5O3 — CID 50851472

IUPAC(4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESNCCCN1C(=O)OC[C@H]1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H21N5O3/c14-3-1-7-18-11(9-21-13(18)20)12(19)16-4-2-6-17-8-5-15-10-17/h5,8,10-11H,1-4,6-7,9,14H2,(H,16,19)/t11-/m0/s1
InChIKeyZOSVTVAEENCPKU-NSHDSACASA-N
MW295.34 g/mol
LogP-0.44
Rot. Bonds8

About (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851472) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851472
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name(4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESNCCCN1C(=O)OC[C@H]1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H21N5O3/c14-3-1-7-18-11(9-21-13(18)20)12(19)16-4-2-6-17-8-5-15-10-17/h5,8,10-11H,1-4,6-7,9,14H2,(H,16,19)/t11-/m0/s1
InChIKeyZOSVTVAEENCPKU-NSHDSACASA-N
XLogP-0.44
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51074134
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
3-imidazol-1-ylpropylurea
CID 22179621
(2S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739107
5-(3-imidazol-1-ylpropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426639
(2S)-5-chloro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94183027
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
CID 119068889
(3S)-1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94617423
(2R,3S)-N-(3-imidazol-1-ylpropyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94182707
N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 43112147
5-amino-N-(4-imidazol-1-ylbutyl)-2-methylpentanamide
CID 104684937

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851472) is (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is NCCCN1C(=O)OC[C@H]1C(=O)NCCCn1ccnc1.
What is the InChIKey of (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is ZOSVTVAEENCPKU-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N5O3/c14-3-1-7-18-11(9-21-13(18)20)12(19)16-4-2-6-17-8-5-15-10-17/h5,8,10-11H,1-4,6-7,9,14H2,(H,16,19)/t11-/m0/s1.
What are the key properties of (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-aminopropyl)-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).