1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione

C5H6N2O3 — CID 141017514

IUPAC1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione
SMILESO=C1OC(=O)N2CCNC12
InChIInChI=1S/C5H6N2O3/c8-4-3-6-1-2-7(3)5(9)10-4/h3,6H,1-2H2
InChIKeyDOIGWJZXWNMSSC-UHFFFAOYSA-N
MW142.11 g/mol
LogP-1.11
Rot. Bonds

About 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione

1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione (PubChem CID 141017514) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione.

Molecular Properties

Compound Name1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione
PubChem CID141017514
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione
SMILESO=C1OC(=O)N2CCNC12
InChIInChI=1S/C5H6N2O3/c8-4-3-6-1-2-7(3)5(9)10-4/h3,6H,1-2H2
InChIKeyDOIGWJZXWNMSSC-UHFFFAOYSA-N
XLogP-1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dioxo-hexahydro-imidazo[4,5-d]-imidazol-1-yl)-acetic acid
CID 3146910
(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-acetic acid ethyl ester
CID 654665
methyl 2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetate
CID 5021034
ethyl 2-[(3aR,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetate
CID 744170
ethyl 2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetate
CID 744171
ethyl 2-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetate
CID 744173
2-[(3aR,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetic acid
CID 1252350
2-[(3aR,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetic acid
CID 1252352
2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetic acid
CID 1252353
2-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetic acid
CID 1252355
2-[(3aS,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
CID 6948557
2-[(3aR,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
CID 6948558

Frequently Asked Questions

What is the IUPAC name of 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione?
The IUPAC name of 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione (CID 141017514) is 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione.
What is the SMILES notation for 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione?
The canonical SMILES for 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione is O=C1OC(=O)N2CCNC12.
What is the InChIKey of 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione?
The InChIKey is DOIGWJZXWNMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-4-3-6-1-2-7(3)5(9)10-4/h3,6H,1-2H2.
What are the key properties of 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione?
1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione has a molecular weight of 142.11 g/mol, XLogP of -1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7a-tetrahydroimidazo[1,2-c][1,3]oxazole-5,7-dione is sourced from PubChem (CID 141017514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).