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

C11H18N2O2 — CID 57062954

IUPAC2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(C(C)CCC2=NCCO2)=N1
InChIInChI=1S/C11H18N2O2/c1-8(11-13-9(2)7-15-11)3-4-10-12-5-6-14-10/h8-9H,3-7H2,1-2H3
InChIKeyUEUKTEQOLZDZGT-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.65
Rot. Bonds4

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

2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 57062954) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID57062954
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(C(C)CCC2=NCCO2)=N1
InChIInChI=1S/C11H18N2O2/c1-8(11-13-9(2)7-15-11)3-4-10-12-5-6-14-10/h8-9H,3-7H2,1-2H3
InChIKeyUEUKTEQOLZDZGT-UHFFFAOYSA-N
XLogP1.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methane
CID 10955621
(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-isobutyl-4,5-dihydrooxazole)
CID 10891732
(4R,4'R)-2,2'-methylenebis[4,5-dihydro-4-(1-methylethyl)oxazole]
CID 11139180
(4S,4'S)-2,2'-(Ethane-1,1-diyl)bis(4-isopropyl-4,5-dihydrooxazole)
CID 11368772
4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butan-1-ol
CID 57815579
(4S)-4-propan-2-yl-2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole
CID 14868994
Bis(4-isopropyl-4,5-dihydrooxazol-2-yl)methane
CID 4281291
4-Propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
CID 14868993
2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
CID 20036726
2-[1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl]-4,4-dimethyl-5H-1,3-oxazole
CID 21639201
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole
CID 22924268
2-[3-(4-Ethyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 57025825

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole (CID 57062954) is 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole is CC1COC(C(C)CCC2=NCCO2)=N1.
What is the InChIKey of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is UEUKTEQOLZDZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(11-13-9(2)7-15-11)3-4-10-12-5-6-14-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 210.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57062954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).