2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole

C12H15N3O3 — CID 91557750

IUPAC2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESC1COC(C2C(C3=NCCO3)C2C2=NCCO2)=N1
InChIInChI=1S/C12H15N3O3/c1-4-16-10(13-1)7-8(11-14-2-5-17-11)9(7)12-15-3-6-18-12/h7-9H,1-6H2
InChIKeyCFWFFIKTUQISED-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.13
Rot. Bonds3

About 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole

2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole (PubChem CID 91557750) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole
PubChem CID91557750
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESC1COC(C2C(C3=NCCO3)C2C2=NCCO2)=N1
InChIInChI=1S/C12H15N3O3/c1-4-16-10(13-1)7-8(11-14-2-5-17-11)9(7)12-15-3-6-18-12/h7-9H,1-6H2
InChIKeyCFWFFIKTUQISED-UHFFFAOYSA-N
XLogP0.13
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,3-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11099673
2-[1,3-Bis(4,5-dihydro-1,3-oxazol-2-yl)propyl]-4,5-dihydro-1,3-oxazole
CID 57074726
2-[1,4-Bis(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57192341
2-[1,3-Bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57244596
2-[(1R,2R)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 10991642
(4R)-2-[2,3-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11014262
(4S)-2-[2,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11143291
2-[(1S,2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101234029

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole (CID 91557750) is 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole is C1COC(C2C(C3=NCCO3)C2C2=NCCO2)=N1.
What is the InChIKey of 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CFWFFIKTUQISED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-16-10(13-1)7-8(11-14-2-5-17-11)9(7)12-15-3-6-18-12/h7-9H,1-6H2.
What are the key properties of 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole?
2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 249.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91557750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).