2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C14H19N3O3 — CID 71857463

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCC(C)(C)c1cnc(CN2C(=O)C3CCCN3C2=O)o1
InChIInChI=1S/C14H19N3O3/c1-14(2,3)10-7-15-11(20-10)8-17-12(18)9-5-4-6-16(9)13(17)19/h7,9H,4-6,8H2,1-3H3
InChIKeyRJYNBKOODCTYIX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.90
Rot. Bonds2

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 71857463) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID71857463
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCC(C)(C)c1cnc(CN2C(=O)C3CCCN3C2=O)o1
InChIInChI=1S/C14H19N3O3/c1-14(2,3)10-7-15-11(20-10)8-17-12(18)9-5-4-6-16(9)13(17)19/h7,9H,4-6,8H2,1-3H3
InChIKeyRJYNBKOODCTYIX-UHFFFAOYSA-N
XLogP1.90
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 71857463) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is CC(C)(C)c1cnc(CN2C(=O)C3CCCN3C2=O)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is RJYNBKOODCTYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2,3)10-7-15-11(20-10)8-17-12(18)9-5-4-6-16(9)13(17)19/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 277.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 71857463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).