N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine

C17H20N4O — CID 77084710

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
SMILESCCn1ccnc1CN(C)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H20N4O/c1-3-21-10-9-18-17(21)13-20(2)12-15-11-16(22-19-15)14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3
InChIKeyCSJXUYNZJZBGJT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.19
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine (PubChem CID 77084710) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
PubChem CID77084710
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
SMILESCCn1ccnc1CN(C)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H20N4O/c1-3-21-10-9-18-17(21)13-20(2)12-15-11-16(22-19-15)14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3
InChIKeyCSJXUYNZJZBGJT-UHFFFAOYSA-N
XLogP3.19
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole
CID 146091635
3-[4-ethyl-5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91797860
1-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 114952613
N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 56898839
5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
CID 71898773
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propylamino]ethanol
CID 60693417
3-(1-benzylimidazol-2-yl)-5-phenyl-1,2-oxazole
CID 6421530
[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 163351672
[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol
CID 174239497
[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 28783501
3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole
CID 90125012

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine (CID 77084710) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine is CCn1ccnc1CN(C)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine?
The InChIKey is CSJXUYNZJZBGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-21-10-9-18-17(21)13-20(2)12-15-11-16(22-19-15)14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine has a molecular weight of 296.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 77084710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).