4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole

C13H22N2O2 — CID 4281291

IUPAC4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(CC2=NC(C(C)C)CO2)=N1
InChIInChI=1S/C13H22N2O2/c1-8(2)10-6-16-12(14-10)5-13-15-11(7-17-13)9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyKEHOIBBPRFRZFW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.28
Rot. Bonds4

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

4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 4281291) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID4281291
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(CC2=NC(C(C)C)CO2)=N1
InChIInChI=1S/C13H22N2O2/c1-8(2)10-6-16-12(14-10)5-13-15-11(7-17-13)9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyKEHOIBBPRFRZFW-UHFFFAOYSA-N
XLogP2.28
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

t-Bu-box, (S,S)-
CID 688208
(2S)-2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazine
CID 736065
(R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
CID 736066
2,2'-Methylenebis[(4S)-4-tert-butyl-2-oxazoline]
CID 688207
t-Bu-box, (R,R)-
CID 688210
(2R)-3,6-diethoxy-2-(propan-2-yl)-2,5-dihydropyrazine
CID 5325957
4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495276
Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane
CID 688205
(4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)
CID 10880944
2,2-Bis((4S)-(-)-4-isopropyloxazoline)propane
CID 11821563
Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methane
CID 10955621
4-Tert-butyl-2-[(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 3479933

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole (CID 4281291) is 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole is CC(C)C1COC(CC2=NC(C(C)C)CO2)=N1.
What is the InChIKey of 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is KEHOIBBPRFRZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)10-6-16-12(14-10)5-13-15-11(7-17-13)9(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 238.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 4281291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).