(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one

C12H12N2O2 — CID 135564991

IUPAC(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one
SMILESO=C1N/C(=N/C2CC2)O[C@H]1c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11-10(8-4-2-1-3-5-8)16-12(14-11)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14,15)/t10-/m0/s1
InChIKeyDNRKTAYPGADPGW-JTQLQIEISA-N
MW216.24 g/mol
LogP1.39
Rot. Bonds2

About (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one

(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one (PubChem CID 135564991) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one
PubChem CID135564991
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one
SMILESO=C1N/C(=N/C2CC2)O[C@H]1c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11-10(8-4-2-1-3-5-8)16-12(14-11)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14,15)/t10-/m0/s1
InChIKeyDNRKTAYPGADPGW-JTQLQIEISA-N
XLogP1.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 135989729
2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 135989507
(5R)-5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
CID 135682612
(5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 136842921
(2R)-6-nitro-2-phenyl-4H-1,4-benzoxazin-3-one
CID 52515478
2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione
CID 143765053
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one
CID 69261563
(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one
CID 71425586
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716

Frequently Asked Questions

What is the IUPAC name of (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one?
The IUPAC name of (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one (CID 135564991) is (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one.
What is the SMILES notation for (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one?
The canonical SMILES for (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one is O=C1N/C(=N/C2CC2)O[C@H]1c1ccccc1.
What is the InChIKey of (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one?
The InChIKey is DNRKTAYPGADPGW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11-10(8-4-2-1-3-5-8)16-12(14-11)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14,15)/t10-/m0/s1.
What are the key properties of (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one?
(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one has a molecular weight of 216.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 135564991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).