1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

C11H17N5O2 — CID 107974499

IUPAC1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(-c2cn(C)cn2)n1
InChIInChI=1S/C11H17N5O2/c1-7(2)17-5-8(12)10-14-11(18-15-10)9-4-16(3)6-13-9/h4,6-8H,5,12H2,1-3H3
InChIKeyIDOHUTVPRRFBKV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.89
Rot. Bonds5

About 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (PubChem CID 107974499) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
PubChem CID107974499
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(-c2cn(C)cn2)n1
InChIInChI=1S/C11H17N5O2/c1-7(2)17-5-8(12)10-14-11(18-15-10)9-4-16(3)6-13-9/h4,6-8H,5,12H2,1-3H3
InChIKeyIDOHUTVPRRFBKV-UHFFFAOYSA-N
XLogP0.89
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 114022913
1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 107974506
1-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634574
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634511
1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634516
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634751
1-[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634804
1-[5-(4-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634547
1-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 107940732
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634608
1-[5-(5-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634800
1-[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634789

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The IUPAC name of 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (CID 107974499) is 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1noc(-c2cn(C)cn2)n1.
What is the InChIKey of 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The InChIKey is IDOHUTVPRRFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7(2)17-5-8(12)10-14-11(18-15-10)9-4-16(3)6-13-9/h4,6-8H,5,12H2,1-3H3.
What are the key properties of 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine has a molecular weight of 251.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 107974499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).