4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one

C6H7N3O2 — CID 57157791

IUPAC4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cnc[nH]2)CO1
InChIInChI=1S/C6H7N3O2/c10-6-9-5(2-11-6)4-1-7-3-8-4/h1,3,5H,2H2,(H,7,8)(H,9,10)
InChIKeyUCZRKLVPYZJPNZ-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.19
Rot. Bonds1

About 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one

4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 57157791) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one
PubChem CID57157791
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cnc[nH]2)CO1
InChIInChI=1S/C6H7N3O2/c10-6-9-5(2-11-6)4-1-7-3-8-4/h1,3,5H,2H2,(H,7,8)(H,9,10)
InChIKeyUCZRKLVPYZJPNZ-UHFFFAOYSA-N
XLogP0.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
2-(1H-imidazol-5-yl)imidazolidin-4-one
CID 130626226
5-(3-deuteriooxetan-3-yl)-1H-imidazole
CID 175941981
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(2,3,5-trichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 131448512
(3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine
CID 23583388
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
CID 142698027
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
4-(6-methoxy-3-pyridinyl)-1,3-oxazolidin-2-one
CID 114938799
3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 105453528
(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol
CID 15868501

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one (CID 57157791) is 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one is O=C1NC(c2cnc[nH]2)CO1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is UCZRKLVPYZJPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-6-9-5(2-11-6)4-1-7-3-8-4/h1,3,5H,2H2,(H,7,8)(H,9,10).
What are the key properties of 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one?
4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 153.14 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57157791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).