2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole

C6H9N3O — CID 57009020

IUPAC2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole
SMILESC1=NCCN1C1=NCCO1
InChIInChI=1S/C6H9N3O/c1-3-9(5-7-1)6-8-2-4-10-6/h5H,1-4H2
InChIKeyHKQRMXICPBGWJX-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.28
Rot. Bonds

About 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole

2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 57009020) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole
PubChem CID57009020
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole
SMILESC1=NCCN1C1=NCCO1
InChIInChI=1S/C6H9N3O/c1-3-9(5-7-1)6-8-2-4-10-6/h5H,1-4H2
InChIKeyHKQRMXICPBGWJX-UHFFFAOYSA-N
XLogP-0.28
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)-4,5-dihydroimidazole
CID 11629606
2,3,5,6-Tetrahydroimidazo[2,1-b][1,3]oxazole
CID 85945277
2-Ethoxy-1-methyl-4,5-dihydro-1H-imidazole
CID 23255757
2,3,7,7a-Tetrahydroimidazo[5,1-b]oxazole
CID 129799305
N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 18728208
2-Ethoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium
CID 20037385
1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole
CID 45087930
2-(4,5-Dihydro-1,3-oxazol-3-ium-3-yl)-4,5-dihydro-1,3-oxazole
CID 57165115
1-(2-Methoxyethyl)-4,5-dihydroimidazole;hydrochloride
CID 68123516
4-Methoxy-1-methyl-4,5-dihydroimidazole
CID 123245083
5-Methoxy-1-methyl-4,5-dihydroimidazole
CID 123641163
1-(2-Methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium
CID 138677981

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole (CID 57009020) is 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole is C1=NCCN1C1=NCCO1.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is HKQRMXICPBGWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-9(5-7-1)6-8-2-4-10-6/h5H,1-4H2.
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole?
2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 139.16 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57009020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).