ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol

C17H29N3O3 — CID 142479302

IUPACethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol
SMILESCC.CCc1nccn1Cc1cc(C)on1.OC1CCCCO1
InChIInChI=1S/C10H13N3O.C5H10O2.C2H6/c1-3-10-11-4-5-13(10)7-9-6-8(2)14-12-9;6-5-3-1-2-4-7-5;1-2/h4-6H,3,7H2,1-2H3;5-6H,1-4H2;1-2H3
InChIKeyRLPNHLUVCCOGGJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.32
Rot. Bonds3

About ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol

ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol (PubChem CID 142479302) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol.

Molecular Properties

Compound Nameethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol
PubChem CID142479302
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nameethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol
SMILESCC.CCc1nccn1Cc1cc(C)on1.OC1CCCCO1
InChIInChI=1S/C10H13N3O.C5H10O2.C2H6/c1-3-10-11-4-5-13(10)7-9-6-8(2)14-12-9;6-5-3-1-2-4-7-5;1-2/h4-6H,3,7H2,1-2H3;5-6H,1-4H2;1-2H3
InChIKeyRLPNHLUVCCOGGJ-UHFFFAOYSA-N
XLogP3.32
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 155910168
3-[[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-methyl-1,2-oxazole
CID 97065568
3-[3-[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]propoxy]propan-1-ol
CID 142479319
5-[6-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]naphthalen-2-yl]oxypentan-1-ol
CID 142479347
[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol
CID 174239497
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91842896
2-[3-[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]propyl-(2-hydroxyethyl)amino]ethanol
CID 142479646
3-[4-[2-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]propane-1,2-diol
CID 142479289
1-cyclopentyl-2-(2-ethylimidazol-1-yl)ethanone
CID 115769665
5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
CID 166757161
2-ethyl-1-(oxiran-2-ylmethyl)imidazole
CID 61404960

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol?
The IUPAC name of ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol (CID 142479302) is ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol.
What is the SMILES notation for ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol?
The canonical SMILES for ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol is CC.CCc1nccn1Cc1cc(C)on1.OC1CCCCO1.
What is the InChIKey of ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol?
The InChIKey is RLPNHLUVCCOGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O.C5H10O2.C2H6/c1-3-10-11-4-5-13(10)7-9-6-8(2)14-12-9;6-5-3-1-2-4-7-5;1-2/h4-6H,3,7H2,1-2H3;5-6H,1-4H2;1-2H3.
What are the key properties of ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol?
ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol has a molecular weight of 323.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2-ethylimidazol-1-yl)methyl]-5-methyl-1,2-oxazole;oxan-2-ol is sourced from PubChem (CID 142479302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).